1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide

C25H29N5O2 — CID 112799090

About 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide

1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide (PubChem CID 112799090) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide
• PubChem CID: 112799090
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide
• SMILES: COc1ccc2c(c1)c(C(=O)NC(C)c1nnc3ccccn13)c(C)n2C1CCCCC1
• InChI: InChI=1S/C25H29N5O2/c1-16(24-28-27-22-11-7-8-14-29(22)24)26-25(31)23-17(2)30(18-9-5-4-6-10-18)21-13-12-19(32-3)15-20(21)23/h7-8,11-16,18H,4-6,9-10H2,1-3H3,(H,26,31)
• InChIKey: FGEUIJUANDTRAM-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide?

The IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide (CID 112799090) is 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide.

What is the SMILES notation for 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide?

The canonical SMILES for 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NC(C)c1nnc3ccccn13)c(C)n2C1CCCCC1.

What is the InChIKey of 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide?

The InChIKey is FGEUIJUANDTRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-16(24-28-27-22-11-7-8-14-29(22)24)26-25(31)23-17(2)30(18-9-5-4-6-10-18)21-13-12-19(32-3)15-20(21)23/h7-8,11-16,18H,4-6,9-10H2,1-3H3,(H,26,31).

What are the key properties of 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide?

1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 112799090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).