N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C25H24F3N7O — CID 129103442

About N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 129103442) has the molecular formula C25H24F3N7O and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 129103442
• Molecular Formula: C25H24F3N7O
• Molecular Weight: 495.51 g/mol
• Exact Mass: 495.20
• IUPAC Name: N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Cc1cnn(Cc2ccc(Cn3cc(C(=O)N[C@@H]4CCc5nc(N)ccc54)c(C(F)(F)F)n3)cc2)c1
• InChI: InChI=1S/C25H24F3N7O/c1-15-10-30-34(11-15)12-16-2-4-17(5-3-16)13-35-14-19(23(33-35)25(26,27)28)24(36)32-21-8-7-20-18(21)6-9-22(29)31-20/h2-6,9-11,14,21H,7-8,12-13H2,1H3,(H2,29,31)(H,32,36)/t21-/m1/s1
• InChIKey: GYYMWPJBNBSMIW-OAQYLSRUSA-N
• XLogP: 3.90
• TPSA: 103.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.51
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 129103442) is N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

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

The canonical SMILES for N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cnn(Cc2ccc(Cn3cc(C(=O)N[C@@H]4CCc5nc(N)ccc54)c(C(F)(F)F)n3)cc2)c1.

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

The InChIKey is GYYMWPJBNBSMIW-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24F3N7O/c1-15-10-30-34(11-15)12-16-2-4-17(5-3-16)13-35-14-19(23(33-35)25(26,27)28)24(36)32-21-8-7-20-18(21)6-9-22(29)31-20/h2-6,9-11,14,21H,7-8,12-13H2,1H3,(H2,29,31)(H,32,36)/t21-/m1/s1.

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

N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 129103442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).