N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C26H25F3N6O2 — CID 129097391

About N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 129097391) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 129097391
• Molecular Formula: C26H25F3N6O2
• Molecular Weight: 510.52 g/mol
• Exact Mass: 510.20
• IUPAC Name: N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Nc1nccc2c1CCC2NC(=O)c1cn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)nc1C(F)(F)F
• InChI: InChI=1S/C26H25F3N6O2/c27-26(28,29)22-20(24(36)32-21-6-5-18-17(21)7-8-31-23(18)30)13-35(33-22)11-15-3-1-14(2-4-15)10-34-12-16-9-19(16)25(34)37/h1-4,7-8,13,16,19,21H,5-6,9-12H2,(H2,30,31)(H,32,36)/t16-,19-,21?/m0/s1
• InChIKey: BRXGMDAYJXWPJH-ZRAKIVDLSA-N
• XLogP: 3.32
• TPSA: 106.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.52
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 129097391) is N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is Nc1nccc2c1CCC2NC(=O)c1cn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)nc1C(F)(F)F.

What is the InChIKey of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is BRXGMDAYJXWPJH-ZRAKIVDLSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c27-26(28,29)22-20(24(36)32-21-6-5-18-17(21)7-8-31-23(18)30)13-35(33-22)11-15-3-1-14(2-4-15)10-34-12-16-9-19(16)25(34)37/h1-4,7-8,13,16,19,21H,5-6,9-12H2,(H2,30,31)(H,32,36)/t16-,19-,21?/m0/s1.

What are the key properties of N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?

N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 510.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[[4-[[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 129097391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).