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

C29H28ClFN8O3 — CID 139488243

About 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[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-fluoroimidazo[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 139488243) has the molecular formula C29H28ClFN8O3 and a molecular weight of 591.05 g/mol. Its IUPAC name is 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[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-fluoroimidazo[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: 139488243
• Molecular Formula: C29H28ClFN8O3
• Molecular Weight: 591.05 g/mol
• Exact Mass: 590.20
• IUPAC Name: 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[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: O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(CC4(C(=O)O)CCCC4)c3n2)nn1
• InChI: InChI=1S/C29H28ClFN8O3/c30-21-5-8-37-16-33-22(25(37)24(21)31)11-32-27(40)23-15-39(36-35-23)14-20-13-38-12-19(17-3-4-17)9-18(26(38)34-20)10-29(28(41)42)6-1-2-7-29/h5,8-9,12-13,15-17H,1-4,6-7,10-11,14H2,(H,32,40)(H,41,42)
• InChIKey: XGKMBVOTQVWUCC-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 131.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.05
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[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-fluoroimidazo[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 139488243) is 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[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-fluoroimidazo[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-fluoroimidazo[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 O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(CC4(C(=O)O)CCCC4)c3n2)nn1.

What is the InChIKey of 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[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 XGKMBVOTQVWUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClFN8O3/c30-21-5-8-37-16-33-22(25(37)24(21)31)11-32-27(40)23-15-39(36-35-23)14-20-13-38-12-19(17-3-4-17)9-18(26(38)34-20)10-29(28(41)42)6-1-2-7-29/h5,8-9,12-13,15-17H,1-4,6-7,10-11,14H2,(H,32,40)(H,41,42).

What are the key properties of 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[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-fluoroimidazo[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 591.05 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[[4-[(7-chloro-8-fluoroimidazo[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 139488243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).