N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide

C27H25ClN8O2 — CID 139487594

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 139487594) has the molecular formula C27H25ClN8O2 and a molecular weight of 529.00 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
• PubChem CID: 139487594
• Molecular Formula: C27H25ClN8O2
• Molecular Weight: 529.00 g/mol
• Exact Mass: 528.18
• IUPAC Name: N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
• SMILES: O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(N4CCCC4=O)c3n2)c1
• InChI: InChI=1S/C27H25ClN8O2/c28-20-5-7-33-16-30-22(23(33)9-20)11-29-27(38)19-10-31-35(13-19)15-21-14-34-12-18(17-3-4-17)8-24(26(34)32-21)36-6-1-2-25(36)37/h5,7-10,12-14,16-17H,1-4,6,11,15H2,(H,29,38)
• InChIKey: ABOLQZFVVWNUIM-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 101.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.00
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?

The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (CID 139487594) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(N4CCCC4=O)c3n2)c1.

What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?

The InChIKey is ABOLQZFVVWNUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN8O2/c28-20-5-7-33-16-30-22(23(33)9-20)11-29-27(38)19-10-31-35(13-19)15-21-14-34-12-18(17-3-4-17)8-24(26(34)32-21)36-6-1-2-25(36)37/h5,7-10,12-14,16-17H,1-4,6,11,15H2,(H,29,38).

What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 529.00 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxopyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).