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

C27H25ClN6O3 — CID 153431038

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

ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 153431038) has the molecular formula C27H25ClN6O3 and a molecular weight of 516.99 g/mol. Its IUPAC name is ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
• PubChem CID: 153431038
• Molecular Formula: C27H25ClN6O3
• Molecular Weight: 516.99 g/mol
• Exact Mass: 516.17
• IUPAC Name: ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
• SMILES: CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12
• InChI: InChI=1S/C27H25ClN6O3/c1-2-37-27(36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23/h7-14,16-17H,2-6,15H2,1H3
• InChIKey: MBNVHMSSPPYQHR-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 95.79 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.99
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate (CID 153431038) is ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate.

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

The canonical SMILES for ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.

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

The InChIKey is MBNVHMSSPPYQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O3/c1-2-37-27(36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23/h7-14,16-17H,2-6,15H2,1H3.

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

ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 516.99 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 153431038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).