5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C27H25ClN6O2 — CID 168678854

About 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 168678854) has the molecular formula C27H25ClN6O2 and a molecular weight of 500.99 g/mol. Its IUPAC name is 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 168678854
• Molecular Formula: C27H25ClN6O2
• Molecular Weight: 500.99 g/mol
• Exact Mass: 500.17
• IUPAC Name: 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCn1cc(NC(=O)c2cc3c(nc2Cl)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)cn1
• InChI: InChI=1S/C27H25ClN6O2/c1-3-33-17-20(16-29-33)30-25(35)21-15-22-24(31-23(21)28)32-26(34(22)4-2)27(36,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,36H,3-4H2,1-2H3,(H,30,35)
• InChIKey: CKUZGWURDBJSNP-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 97.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.99
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 168678854) is 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CCn1cc(NC(=O)c2cc3c(nc2Cl)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)cn1.

What is the InChIKey of 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is CKUZGWURDBJSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O2/c1-3-33-17-20(16-29-33)30-25(35)21-15-22-24(31-23(21)28)32-26(34(22)4-2)27(36,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17,36H,3-4H2,1-2H3,(H,30,35).

What are the key properties of 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?

5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 500.99 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168678854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).