Molecules/4-[2-[[1-(3-Azabicyclo[3.1.0]hexan-3-ylmethyl)cyclopropyl]methoxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
4-[2-[[1-(3-Azabicyclo[3.1.0]hexan-3-ylmethyl)cyclopropyl]methoxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
4-[2-[[1-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)cyclopropyl]methoxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
Molecular Identity
4-[2-[[1-(3-Azabicyclo[3.1.0]hexan-3-ylmethyl)cyclopropyl]methoxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
4-[2-[[1-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)cyclopropyl]methoxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
PubChem CID: 171073217
2D Structure
Properties
C36H36F2N6O3
Molecular Formula
638.70
Molecular Weight
g/mol
638.2817
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
95.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
1200
Complexity
SMILES
Canonical SMILES
SMILES: COC1=NC(=C(C2=C1C(=NC(=N2)OCC3(CC3)CN4CC5CC5C4)N6CC7CCC(C6)N7)F)C8=C9C(=CC(=C8)O)C=CC(=C9C#C)FIsomeric SMILES
SMILES: COC1=NC(=C(C2=C1C(=NC(=N2)OCC3(CC3)CN4CC5CC5C4)N6CC7CCC(C6)N7)F)C8=C9C(=CC(=C8)O)C=CC(=C9C#C)FSynonyms(5)
3032602-44-8orb3174648SCHEMBL31206781RNK08954EX-A16876
Data from PubChem (NCBI)
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Molecular Structure
4-[2-[[1-(3-Azabicyclo[3.1.0]hexan-3-ylmethyl)cyclopropyl]methoxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
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Drug Network
Trials and conditions connected to 4-[2-[[1-(3-Azabicyclo[3.1.0]hexan-3-ylmethyl)cyclopropyl]methoxy]-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-5-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
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