1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C26H24FN7O2 — CID 156855068

IUPAC1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cnc(NC(=O)c2cc3c(nc2F)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1
InChIInChI=1S/C26H24FN7O2/c1-3-33-16-28-25(32-33)31-23(35)19-15-20-22(29-21(19)27)30-24(34(20)4-2)26(36,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,36H,3-4H2,1-2H3,(H,31,32,35)
InChIKeyDLJHLXOUEWUTPO-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.74
Rot. Bonds7

About 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 156855068) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID156855068
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cnc(NC(=O)c2cc3c(nc2F)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1
InChIInChI=1S/C26H24FN7O2/c1-3-33-16-28-25(32-33)31-23(35)19-15-20-22(29-21(19)27)30-24(34(20)4-2)26(36,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,36H,3-4H2,1-2H3,(H,31,32,35)
InChIKeyDLJHLXOUEWUTPO-UHFFFAOYSA-N
XLogP3.74
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 156855068) is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CCn1cnc(NC(=O)c2cc3c(nc2F)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1.
What is the InChIKey of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is DLJHLXOUEWUTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-3-33-16-28-25(32-33)31-23(35)19-15-20-22(29-21(19)27)30-24(34(20)4-2)26(36,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,36H,3-4H2,1-2H3,(H,31,32,35).
What are the key properties of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 156855068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).