3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid

C27H25ClN6O3 — CID 153431046

About 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid

3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid (PubChem CID 153431046) has the molecular formula C27H25ClN6O3 and a molecular weight of 516.99 g/mol. Its IUPAC name is 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid
• PubChem CID: 153431046
• Molecular Formula: C27H25ClN6O3
• Molecular Weight: 516.99 g/mol
• Exact Mass: 516.17
• IUPAC Name: 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid
• SMILES: O=C(O)CCc1nn(Cc2cn3cc(C4CC4)ccc3n2)cc1C(=O)CCc1ncn2ccc(Cl)cc12
• InChI: InChI=1S/C27H25ClN6O3/c28-19-9-10-32-16-29-23(24(32)11-19)4-6-25(35)21-15-34(31-22(21)5-8-27(36)37)14-20-13-33-12-18(17-1-2-17)3-7-26(33)30-20/h3,7,9-13,15-17H,1-2,4-6,8,14H2,(H,36,37)
• InChIKey: FBSKHHKFLPCVNK-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.99
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid?

The IUPAC name of 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid (CID 153431046) is 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid.

What is the SMILES notation for 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid?

The canonical SMILES for 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid is O=C(O)CCc1nn(Cc2cn3cc(C4CC4)ccc3n2)cc1C(=O)CCc1ncn2ccc(Cl)cc12.

What is the InChIKey of 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid?

The InChIKey is FBSKHHKFLPCVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O3/c28-19-9-10-32-16-29-23(24(32)11-19)4-6-25(35)21-15-34(31-22(21)5-8-27(36)37)14-20-13-33-12-18(17-1-2-17)3-7-26(33)30-20/h3,7,9-13,15-17H,1-2,4-6,8,14H2,(H,36,37).

What are the key properties of 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid?

3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid has a molecular weight of 516.99 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 153431046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).