Pf-04634817
[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
Molecular Identity
Pf-04634817
[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID: 46198579
2D Structure
Properties
C25H36F3N5O3
Molecular Formula
511.60
Molecular Weight
g/mol
511.2770
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
79.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
801
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1(CCC(C1)NC2CCOCC2OC)C(=O)N3CC4CC3CN4C5=NC=NC(=C5)C(F)(F)FIsomeric SMILES
SMILES: CC(C)[C@@]1(CC[C@H](C1)N[C@H]2CCOC[C@H]2OC)C(=O)N3C[C@@H]4C[C@H]3CN4C5=NC=NC(=C5)C(F)(F)FSynonyms(20)
PF-046348171228111-63-451M3FB9B9E[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone1,5-Anhydro-2,3-dideoxy-4-O-methyl-3-(((1R,3S)-3-(1-methylethyl)-3-(((1S,4S)-5-(6-(trifluoromethyl)-4-pyrimidinyl)-2,5-diazabicyclo(2.2.1)hept-2-yl)carbonyl)cyclopentyl)amino)-D-erythro-pentitolD-Erythro-pentitol, 1,5-anhydro-2,3-dideoxy-4-O-methyl-3-(((1R,3S)-3-(1-methylethyl)-3-(((1S,4S)-5-(6-(trifluoromethyl)-4-pyrimidinyl)-2,5-diazabicyclo(2.2.1)hept-2-yl)carbonyl)cyclopentyl)amino)-((1S,3R)-3-(((3S,4S)-3-methoxyoxan-4-yl)amino)-1-propan-2-ylcyclopentyl)-((1S,4S)-5-(6-(trifluoromethyl)pyrimidin-4-yl)-2,5-diazabicyclo(2.2.1)heptan-2-yl)methanoneRefChem:172233(3S,4S)-3-methoxy-N-((1R,3S)-3-(propan-2-yl)-3-((1S,4S)-5-(6-(trifluoromethyl)pyrimidin-4-yl)-2,5-diazabicyclo(2.2.1)heptane-2-carbonyl)cyclopentyl)oxan-4-amineMCRWZBYTLVCCJJ-DKALBXGISA-NUNII-51M3FB9B9EGTPL9979orb1708893SCHEMBL1961590CHEMBL5095029
Data from PubChem (NCBI)
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