N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide

C59H62N16O4 — CID 162107088

About N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide

N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide (PubChem CID 162107088) has the molecular formula C59H62N16O4 and a molecular weight of 1059.25 g/mol. Its IUPAC name is N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide
• PubChem CID: 162107088
• Molecular Formula: C59H62N16O4
• Molecular Weight: 1059.25 g/mol
• Exact Mass: 1058.51
• IUPAC Name: N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide
• SMILES: COc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4C[C@@H]5C(C#N)[C@@H]5C4)nc3C)c2)c(OC)c1.Cc1nc(N2C[C@@H]3C(C#N)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)cn1
• InChI: InChI=1S/C34H36N8O3.C25H26N8O/c1-20-22(5-9-32(39-20)41-18-28-27(13-35)29(28)19-41)16-42-17-23(15-38-42)34(43)40-30-8-7-26-25(30)10-11-36-33(26)37-14-21-4-6-24(44-2)12-31(21)45-3;1-14-15(2-5-23(30-14)32-12-20-19(8-26)21(20)13-32)10-33-11-16(9-29-33)25(34)31-22-4-3-18-17(22)6-7-28-24(18)27/h4-6,9-12,15,17,27-30H,7-8,14,16,18-19H2,1-3H3,(H,36,37)(H,40,43);2,5-7,9,11,19-22H,3-4,10,12-13H2,1H3,(H2,27,28)(H,31,34)/t27?,28-,29+,30-;19?,20-,21+,22-/m11/s1
• InChIKey: ZFQOUXKYHBMAPJ-KYIVJJGXSA-N
• XLogP: 6.52
• TPSA: 255.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1059.25
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide (CID 162107088) is N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide.

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

The canonical SMILES for N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide is COc1ccc(CNc2nccc3c2CC[C@H]3NC(=O)c2cnn(Cc3ccc(N4C[C@@H]5C(C#N)[C@@H]5C4)nc3C)c2)c(OC)c1.Cc1nc(N2C[C@@H]3C(C#N)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)cn1.

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

The InChIKey is ZFQOUXKYHBMAPJ-KYIVJJGXSA-N. The full InChI is InChI=1S/C34H36N8O3.C25H26N8O/c1-20-22(5-9-32(39-20)41-18-28-27(13-35)29(28)19-41)16-42-17-23(15-38-42)34(43)40-30-8-7-26-25(30)10-11-36-33(26)37-14-21-4-6-24(44-2)12-31(21)45-3;1-14-15(2-5-23(30-14)32-12-20-19(8-26)21(20)13-32)10-33-11-16(9-29-33)25(34)31-22-4-3-18-17(22)6-7-28-24(18)27/h4-6,9-12,15,17,27-30H,7-8,14,16,18-19H2,1-3H3,(H,36,37)(H,40,43);2,5-7,9,11,19-22H,3-4,10,12-13H2,1H3,(H2,27,28)(H,31,34)/t27?,28-,29+,30-;19?,20-,21+,22-/m11/s1.

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

N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide has a molecular weight of 1059.25 g/mol, XLogP of 6.52, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxamide;1-[[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 162107088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).