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

C27H27N7O3 — CID 156855094

IUPAC1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1
InChIInChI=1S/C27H27N7O3/c1-4-33-17-28-26(32-33)31-23(35)20-16-21-22(29-24(20)37-3)30-25(34(21)5-2)27(36,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,36H,4-5H2,1-3H3,(H,31,32,35)
InChIKeyTYAUEIBGVNXTHD-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.61
Rot. Bonds8

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

1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 156855094) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID156855094
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1
InChIInChI=1S/C27H27N7O3/c1-4-33-17-28-26(32-33)31-23(35)20-16-21-22(29-24(20)37-3)30-25(34(21)5-2)27(36,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,36H,4-5H2,1-3H3,(H,31,32,35)
InChIKeyTYAUEIBGVNXTHD-UHFFFAOYSA-N
XLogP3.61
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (CID 156855094) is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-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)n1.
What is the InChIKey of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is TYAUEIBGVNXTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-4-33-17-28-26(32-33)31-23(35)20-16-21-22(29-24(20)37-3)30-25(34(21)5-2)27(36,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,36H,4-5H2,1-3H3,(H,31,32,35).
What are the key properties of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 156855094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).