1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid

C31H33ClN8O4 — CID 139487912

About 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid

1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 139487912) has the molecular formula C31H33ClN8O4 and a molecular weight of 617.11 g/mol. Its IUPAC name is 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid
• PubChem CID: 139487912
• Molecular Formula: C31H33ClN8O4
• Molecular Weight: 617.11 g/mol
• Exact Mass: 616.23
• IUPAC Name: 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid
• SMILES: CCOc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(C6CC6)cc(CC6(C(=O)O)CCCC6)c5n4)nn3)c12
• InChI: InChI=1S/C31H33ClN8O4/c1-2-44-27-23(32)7-10-38-18-34-24(26(27)38)13-33-29(41)25-17-40(37-36-25)16-22-15-39-14-21(19-5-6-19)11-20(28(39)35-22)12-31(30(42)43)8-3-4-9-31/h7,10-11,14-15,17-19H,2-6,8-9,12-13,16H2,1H3,(H,33,41)(H,42,43)
• InChIKey: ZAKHZOFIGIZBQD-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 140.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.11
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid?

The IUPAC name of 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid (CID 139487912) is 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid.

What is the SMILES notation for 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid?

The canonical SMILES for 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid is CCOc1c(Cl)ccn2cnc(CNC(=O)c3cn(Cc4cn5cc(C6CC6)cc(CC6(C(=O)O)CCCC6)c5n4)nn3)c12.

What is the InChIKey of 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid?

The InChIKey is ZAKHZOFIGIZBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClN8O4/c1-2-44-27-23(32)7-10-38-18-34-24(26(27)38)13-33-29(41)25-17-40(37-36-25)16-22-15-39-14-21(19-5-6-19)11-20(28(39)35-22)12-31(30(42)43)8-3-4-9-31/h7,10-11,14-15,17-19H,2-6,8-9,12-13,16H2,1H3,(H,33,41)(H,42,43).

What are the key properties of 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid?

1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 617.11 g/mol, XLogP of 4.67, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[[4-[(7-chloro-8-ethoxyimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 139487912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).