2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid

C27H24ClN7O3 — CID 139487475

About 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid

2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid (PubChem CID 139487475) has the molecular formula C27H24ClN7O3 and a molecular weight of 529.99 g/mol. Its IUPAC name is 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid
• PubChem CID: 139487475
• Molecular Formula: C27H24ClN7O3
• Molecular Weight: 529.99 g/mol
• Exact Mass: 529.16
• IUPAC Name: 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid
• SMILES: O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(C4CC4C(=O)O)c3n2)c1
• InChI: InChI=1S/C27H24ClN7O3/c28-18-3-4-33-14-30-23(24(33)6-18)9-29-26(36)17-8-31-35(11-17)13-19-12-34-10-16(15-1-2-15)5-21(25(34)32-19)20-7-22(20)27(37)38/h3-6,8,10-12,14-15,20,22H,1-2,7,9,13H2,(H,29,36)(H,37,38)
• InChIKey: KPCTXBRNLNHRJR-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 118.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.99
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid (CID 139487475) is 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid.

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

The canonical SMILES for 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid is O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(C4CC4C(=O)O)c3n2)c1.

What is the InChIKey of 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid?

The InChIKey is KPCTXBRNLNHRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN7O3/c28-18-3-4-33-14-30-23(24(33)6-18)9-29-26(36)17-8-31-35(11-17)13-19-12-34-10-16(15-1-2-15)5-21(25(34)32-19)20-7-22(20)27(37)38/h3-6,8,10-12,14-15,20,22H,1-2,7,9,13H2,(H,29,36)(H,37,38).

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

2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid has a molecular weight of 529.99 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 139487475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).