1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide

C32H43N7O — CID 138687032

About 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide

1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 138687032) has the molecular formula C32H43N7O and a molecular weight of 541.74 g/mol. Its IUPAC name is 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide
• PubChem CID: 138687032
• Molecular Formula: C32H43N7O
• Molecular Weight: 541.74 g/mol
• Exact Mass: 541.35
• IUPAC Name: 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide
• SMILES: Cc1c(-c2[nH]c3ccc(C4CCC(NC5(C(=O)N(C)C)CCCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C32H43N7O/c1-19(2)27-28(24-17-39-30(33-18-34-39)21(4)20(24)3)36-26-14-13-25(35-29(26)27)22-9-11-23(12-10-22)37-32(15-7-8-16-32)31(40)38(5)6/h13-14,17-19,22-23,36-37H,7-12,15-16H2,1-6H3
• InChIKey: NYBHRBGJHKJQAV-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 91.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.74
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide?

The IUPAC name of 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide (CID 138687032) is 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide.

What is the SMILES notation for 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide?

The canonical SMILES for 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide is Cc1c(-c2[nH]c3ccc(C4CCC(NC5(C(=O)N(C)C)CCCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide?

The InChIKey is NYBHRBGJHKJQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O/c1-19(2)27-28(24-17-39-30(33-18-34-39)21(4)20(24)3)36-26-14-13-25(35-29(26)27)22-9-11-23(12-10-22)37-32(15-7-8-16-32)31(40)38(5)6/h13-14,17-19,22-23,36-37H,7-12,15-16H2,1-6H3.

What are the key properties of 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide?

1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 541.74 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 138687032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).