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

C26H24N6O2 — CID 156855113

IUPACN-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cc(NC(=O)c2cnc3nc(C(O)(c4ccccc4)c4ccccc4)n(C)c3c2)cn1
InChIInChI=1S/C26H24N6O2/c1-3-32-17-21(16-28-32)29-24(33)18-14-22-23(27-15-18)30-25(31(22)2)26(34,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,34H,3H2,1-2H3,(H,29,33)
InChIKeyJEKDLLTXJRODDE-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.72
Rot. Bonds6

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

N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 156855113) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID156855113
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cc(NC(=O)c2cnc3nc(C(O)(c4ccccc4)c4ccccc4)n(C)c3c2)cn1
InChIInChI=1S/C26H24N6O2/c1-3-32-17-21(16-28-32)29-24(33)18-14-22-23(27-15-18)30-25(31(22)2)26(34,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,34H,3H2,1-2H3,(H,29,33)
InChIKeyJEKDLLTXJRODDE-UHFFFAOYSA-N
XLogP3.72
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 156855113) is N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide is CCn1cc(NC(=O)c2cnc3nc(C(O)(c4ccccc4)c4ccccc4)n(C)c3c2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is JEKDLLTXJRODDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-3-32-17-21(16-28-32)29-24(33)18-14-22-23(27-15-18)30-25(31(22)2)26(34,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17,34H,3H2,1-2H3,(H,29,33).
What are the key properties of N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-1-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 156855113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).