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

C55H60F4N18O4 — CID 158162073

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

N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide (PubChem CID 158162073) has the molecular formula C55H60F4N18O4 and a molecular weight of 1113.20 g/mol. Its IUPAC name is N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide
• PubChem CID: 158162073
• Molecular Formula: C55H60F4N18O4
• Molecular Weight: 1113.20 g/mol
• Exact Mass: 1112.50
• IUPAC Name: N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide
• SMILES: COc1ccc(CNc2nc(C)cc3c2CC[C@H]3NC(=O)c2cn(Cc3cnc(N4CC5C(C4)C5(F)F)nc3C)nn2)c(OC)c1.Cc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4C(C3)C4(F)F)nc2C)nn1
• InChI: InChI=1S/C32H35F2N9O3.C23H25F2N9O/c1-17-9-23-22(29(37-17)35-11-19-5-6-21(45-3)10-28(19)46-4)7-8-26(23)39-30(44)27-16-43(41-40-27)13-20-12-36-31(38-18(20)2)42-14-24-25(15-42)32(24,33)34;1-11-5-15-14(20(26)28-11)3-4-18(15)30-21(35)19-10-34(32-31-19)7-13-6-27-22(29-12(13)2)33-8-16-17(9-33)23(16,24)25/h5-6,9-10,12,16,24-26H,7-8,11,13-15H2,1-4H3,(H,35,37)(H,39,44);5-6,10,16-18H,3-4,7-9H2,1-2H3,(H2,26,28)(H,30,35)/t24?,25?,26-;16?,17?,18-/m11/s1
• InChIKey: FWJWKRSDSLLHGL-RYNAXYMXSA-N
• XLogP: 5.71
• TPSA: 259.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1113.20
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide (CID 158162073) is N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide.

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

The canonical SMILES for N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide is COc1ccc(CNc2nc(C)cc3c2CC[C@H]3NC(=O)c2cn(Cc3cnc(N4CC5C(C4)C5(F)F)nc3C)nn2)c(OC)c1.Cc1cc2c(c(N)n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4C(C3)C4(F)F)nc2C)nn1.

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

The InChIKey is FWJWKRSDSLLHGL-RYNAXYMXSA-N. The full InChI is InChI=1S/C32H35F2N9O3.C23H25F2N9O/c1-17-9-23-22(29(37-17)35-11-19-5-6-21(45-3)10-28(19)46-4)7-8-26(23)39-30(44)27-16-43(41-40-27)13-20-12-36-31(38-18(20)2)42-14-24-25(15-42)32(24,33)34;1-11-5-15-14(20(26)28-11)3-4-18(15)30-21(35)19-10-34(32-31-19)7-13-6-27-22(29-12(13)2)33-8-16-17(9-33)23(16,24)25/h5-6,9-10,12,16,24-26H,7-8,11,13-15H2,1-4H3,(H,35,37)(H,39,44);5-6,10,16-18H,3-4,7-9H2,1-2H3,(H2,26,28)(H,30,35)/t24?,25?,26-;16?,17?,18-/m11/s1.

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

N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide has a molecular weight of 1113.20 g/mol, XLogP of 5.71, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R)-1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide;1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(5R)-1-[(2,4-dimethoxyphenyl)methylamino]-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]triazole-4-carboxamide is sourced from PubChem (CID 158162073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).