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

C22H25N9O — CID 135362347

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

N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide (PubChem CID 135362347) has the molecular formula C22H25N9O and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide
• PubChem CID: 135362347
• Molecular Formula: C22H25N9O
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.22
• IUPAC Name: N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide
• SMILES: Cc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)nn1
• InChI: InChI=1S/C22H25N9O/c1-12-15(7-25-22(26-12)30-8-13-6-14(13)9-30)10-31-11-19(28-29-31)21(32)27-18-3-2-17-16(18)4-5-24-20(17)23/h4-5,7,11,13-14,18H,2-3,6,8-10H2,1H3,(H2,23,24)(H,27,32)/t13?,14?,18-/m1/s1
• InChIKey: CTCYVDUTJJZGMM-WTNGLUPJSA-N
• XLogP: 1.28
• TPSA: 127.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide (CID 135362347) is N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide.

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

The canonical SMILES for N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide is Cc1nc(N2CC3CC3C2)ncc1Cn1cc(C(=O)N[C@@H]2CCc3c2ccnc3N)nn1.

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

The InChIKey is CTCYVDUTJJZGMM-WTNGLUPJSA-N. The full InChI is InChI=1S/C22H25N9O/c1-12-15(7-25-22(26-12)30-8-13-6-14(13)9-30)10-31-11-19(28-29-31)21(32)27-18-3-2-17-16(18)4-5-24-20(17)23/h4-5,7,11,13-14,18H,2-3,6,8-10H2,1H3,(H2,23,24)(H,27,32)/t13?,14?,18-/m1/s1.

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

N-[(5R)-1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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-[[2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 135362347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).