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

C28H28N6O3 — CID 168678847

IUPAC1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)c1
InChIInChI=1S/C28H28N6O3/c1-4-33-17-23(29-18-33)30-25(35)21-16-22-24(31-26(21)37-3)32-27(34(22)5-2)28(36,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,36H,4-5H2,1-3H3,(H,30,35)
InChIKeyCBOOOBFMILAYSM-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.21
Rot. Bonds8

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

1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 168678847) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID168678847
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)c1
InChIInChI=1S/C28H28N6O3/c1-4-33-17-23(29-18-33)30-25(35)21-16-22-24(31-26(21)37-3)32-27(34(22)5-2)28(36,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,36H,4-5H2,1-3H3,(H,30,35)
InChIKeyCBOOOBFMILAYSM-UHFFFAOYSA-N
XLogP4.21
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (CID 168678847) is 1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)c1.
What is the InChIKey of 1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is CBOOOBFMILAYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-4-33-17-23(29-18-33)30-25(35)21-16-22-24(31-26(21)37-3)32-27(34(22)5-2)28(36,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,36H,4-5H2,1-3H3,(H,30,35).
What are the key properties of 1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-ethylimidazol-4-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168678847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).