Molecules/(4aS,4bS,6aS,7S,9aS,9bS,11aR)-3-Fluoro-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-N-(3H-imidazo(4,5-b)pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-1H-indeno(5,4-f)quinoline-7-carboxamide
(4aS,4bS,6aS,7S,9aS,9bS,11aR)-3-Fluoro-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-N-(3H-imidazo(4,5-b)pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-1H-indeno(5,4-f)quinoline-7-carboxamide
(1S,3aS,3bS,5aR,9aS,9bS,11aS)-8-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
Molecular Identity
(4aS,4bS,6aS,7S,9aS,9bS,11aR)-3-Fluoro-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-N-(3H-imidazo(4,5-b)pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-1H-indeno(5,4-f)quinoline-7-carboxamide
(1S,3aS,3bS,5aR,9aS,9bS,11aS)-8-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
PubChem CID: 11950726
2D Structure
Properties
C27H34FN5O2
Molecular Formula
479.60
Molecular Weight
g/mol
479.2697
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
91
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
927
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CCC2C(=O)NCC4=NC5=C(N4)C=CC=N5)CCC6C3(C=C(C(=O)N6C)F)CIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NCC4=NC5=C(N4)C=CC=N5)CC[C@@H]6[C@@]3(C=C(C(=O)N6C)F)CSynonyms(20)
MK-0773606101-58-0PF-053148825730VNW22XDTXSID701025274N-(3H-Imidazo(4,5-b)pyridin-2-ylmethyl)-2-fluoro-4-methyl-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide(4aS,4bS,6aS,7S,9aS,9bS,11aR)-3-Fluoro-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-N-(3H-imidazo(4,5-b)pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-1H-indeno(5,4-f)quinoline-7-carboxamideRefChem:1050466DTXCID301509515MK 0773CHEMBL3221237PF 05314882(1S,3aS,3bS,5aR,9aS,9bS,11aS)-8-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamideC27H34FN5O2UNII-5730VNW22X
Data from PubChem (NCBI)
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Molecular Structure
(4aS,4bS,6aS,7S,9aS,9bS,11aR)-3-Fluoro-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-N-(3H-imidazo(4,5-b)pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-1H-indeno(5,4-f)quinoline-7-carboxamide
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Drug Network
Trials and conditions connected to (4aS,4bS,6aS,7S,9aS,9bS,11aR)-3-Fluoro-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-N-(3H-imidazo(4,5-b)pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-1H-indeno(5,4-f)quinoline-7-carboxamide
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