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

C26H26ClN7O3 — CID 139488406

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methoxyethoxy)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-methoxyethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 139488406) has the molecular formula C26H26ClN7O3 and a molecular weight of 519.99 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methoxyethoxy)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-methoxyethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
• PubChem CID: 139488406
• Molecular Formula: C26H26ClN7O3
• Molecular Weight: 519.99 g/mol
• Exact Mass: 519.18
• IUPAC Name: N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methoxyethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
• SMILES: COCCOc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12
• InChI: InChI=1S/C26H26ClN7O3/c1-36-6-7-37-24-8-18(17-2-3-17)12-33-14-21(31-25(24)33)15-34-13-19(10-30-34)26(35)28-11-22-23-9-20(27)4-5-32(23)16-29-22/h4-5,8-10,12-14,16-17H,2-3,6-7,11,15H2,1H3,(H,28,35)
• InChIKey: HOAIBSHBEWOVJQ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 99.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.99
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methoxyethoxy)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-methoxyethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (CID 139488406) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methoxyethoxy)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-methoxyethoxy)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-methoxyethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is COCCOc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.

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

The InChIKey is HOAIBSHBEWOVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O3/c1-36-6-7-37-24-8-18(17-2-3-17)12-33-14-21(31-25(24)33)15-34-13-19(10-30-34)26(35)28-11-22-23-9-20(27)4-5-32(23)16-29-22/h4-5,8-10,12-14,16-17H,2-3,6-7,11,15H2,1H3,(H,28,35).

What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-methoxyethoxy)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-methoxyethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 519.99 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 9 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-methoxyethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139488406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).