ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate

C27H27N7O3 — CID 153344032

About ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate

ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 153344032) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate
• PubChem CID: 153344032
• Molecular Formula: C27H27N7O3
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.22
• IUPAC Name: ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate
• SMILES: CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(C)cc45)cn3)nc12
• InChI: InChI=1S/C27H27N7O3/c1-3-37-27(36)22-9-19(18-4-5-18)12-33-14-21(31-25(22)33)15-34-13-20(10-30-34)26(35)28-11-23-24-8-17(2)6-7-32(24)16-29-23/h6-10,12-14,16,18H,3-5,11,15H2,1-2H3,(H,28,35)
• InChIKey: IRHIANAYVJYHGD-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 107.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate?

The IUPAC name of ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate (CID 153344032) is ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate.

What is the SMILES notation for ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate?

The canonical SMILES for ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(C)cc45)cn3)nc12.

What is the InChIKey of ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate?

The InChIKey is IRHIANAYVJYHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-3-37-27(36)22-9-19(18-4-5-18)12-33-14-21(31-25(22)33)15-34-13-20(10-30-34)26(35)28-11-23-24-8-17(2)6-7-32(24)16-29-23/h6-10,12-14,16,18H,3-5,11,15H2,1-2H3,(H,28,35).

What are the key properties of ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate?

ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 497.56 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-cyclopropyl-2-[[4-[(7-methylimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 153344032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).