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

C27H25FN6O2 — CID 168678853

IUPAC1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cc(NC(=O)c2cc3c(nc2F)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)cn1
InChIInChI=1S/C27H25FN6O2/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)
InChIKeyIWUPGOFAYWOAQM-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.34
Rot. Bonds7

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

1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 168678853) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID168678853
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC Name1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cc(NC(=O)c2cc3c(nc2F)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)cn1
InChIInChI=1S/C27H25FN6O2/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)
InChIKeyIWUPGOFAYWOAQM-UHFFFAOYSA-N
XLogP4.34
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 168678853) is 1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CCn1cc(NC(=O)c2cc3c(nc2F)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)cn1.
What is the InChIKey of 1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is IWUPGOFAYWOAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/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 1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-ethylpyrazol-4-yl)-5-fluoro-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168678853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).