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

C28H28N6O2 — CID 156854999

IUPAC1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cc(NC(=O)c2cc3c(nc2C)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)cn1
InChIInChI=1S/C28H28N6O2/c1-4-33-18-22(17-29-33)31-26(35)23-16-24-25(30-19(23)3)32-27(34(24)5-2)28(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,36H,4-5H2,1-3H3,(H,31,35)
InChIKeyNCDIGXPNDWIKPE-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.51
Rot. Bonds7

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

1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 156854999) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID156854999
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cc(NC(=O)c2cc3c(nc2C)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)cn1
InChIInChI=1S/C28H28N6O2/c1-4-33-18-22(17-29-33)31-26(35)23-16-24-25(30-19(23)3)32-27(34(24)5-2)28(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,36H,4-5H2,1-3H3,(H,31,35)
InChIKeyNCDIGXPNDWIKPE-UHFFFAOYSA-N
XLogP4.51
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 156854999) is 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide is CCn1cc(NC(=O)c2cc3c(nc2C)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)cn1.
What is the InChIKey of 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is NCDIGXPNDWIKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-4-33-18-22(17-29-33)31-26(35)23-16-24-25(30-19(23)3)32-27(34(24)5-2)28(36,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,36H,4-5H2,1-3H3,(H,31,35).
What are the key properties of 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide?
1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.51, 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)-2-[hydroxy(diphenyl)methyl]-5-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 156854999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).