2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid

C₂₅H₂₁ClN₆O₃ — CID 153430991

About 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid

2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 153430991) has the molecular formula C₂₅H₂₁ClN₆O₃ and a molecular weight of 488.94 g/mol. Its IUPAC name is 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid
• PubChem CID: 153430991
• Molecular Formula: C₂₅H₂₁ClN₆O₃
• Molecular Weight: 488.94 g/mol
• Exact Mass: 488.14
• IUPAC Name: 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid
• SMILES: O=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(C(=O)O)c3n2)c1
• InChI: InChI=1S/C25H21ClN6O3/c26-18-5-6-30-14-27-21(22(30)8-18)3-4-23(33)17-9-28-32(11-17)13-19-12-31-10-16(15-1-2-15)7-20(25(34)35)24(31)29-19/h5-12,14-15H,1-4,13H2,(H,34,35)
• InChIKey: NRRIRIDCLUTQPM-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 106.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.94
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid?

The IUPAC name of 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid (CID 153430991) is 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid.

What is the SMILES notation for 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid?

The canonical SMILES for 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid is O=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(C(=O)O)c3n2)c1.

What is the InChIKey of 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid?

The InChIKey is NRRIRIDCLUTQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O3/c26-18-5-6-30-14-27-21(22(30)8-18)3-4-23(33)17-9-28-32(11-17)13-19-12-31-10-16(15-1-2-15)7-20(25(34)35)24(31)29-19/h5-12,14-15H,1-4,13H2,(H,34,35).

What are the key properties of 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid?

2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 488.94 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 153430991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153430991 — identifiers, structure, computed properties (public domain)

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