N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide

C21H23N9O — CID 146564410

About N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide

N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide (PubChem CID 146564410) has the molecular formula C21H23N9O and a molecular weight of 417.48 g/mol. Its IUPAC name is N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide
• PubChem CID: 146564410
• Molecular Formula: C21H23N9O
• Molecular Weight: 417.48 g/mol
• Exact Mass: 417.20
• IUPAC Name: N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide
• SMILES: Nc1ccc2c(n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4CC4C3)nc2)nn1
• InChI: InChI=1S/C21H23N9O/c22-19-4-1-15-16(25-19)2-3-17(15)26-20(31)18-11-30(28-27-18)8-12-6-23-21(24-7-12)29-9-13-5-14(13)10-29/h1,4,6-7,11,13-14,17H,2-3,5,8-10H2,(H2,22,25)(H,26,31)/t13?,14?,17-/m1/s1
• InChIKey: HFLNYFMNSAZQJN-MQBCKMQZSA-N
• XLogP: 0.97
• TPSA: 127.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.48
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide (CID 146564410) is N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide.

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

The canonical SMILES for N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide is Nc1ccc2c(n1)CC[C@H]2NC(=O)c1cn(Cc2cnc(N3CC4CC4C3)nc2)nn1.

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

The InChIKey is HFLNYFMNSAZQJN-MQBCKMQZSA-N. The full InChI is InChI=1S/C21H23N9O/c22-19-4-1-15-16(25-19)2-3-17(15)26-20(31)18-11-30(28-27-18)8-12-6-23-21(24-7-12)29-9-13-5-14(13)10-29/h1,4,6-7,11,13-14,17H,2-3,5,8-10H2,(H2,22,25)(H,26,31)/t13?,14?,17-/m1/s1.

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

N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide has a molecular weight of 417.48 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 146564410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).