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

C26H26N8O3 — CID 156855044

IUPAC1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccn2)n3CC)n1
InChIInChI=1S/C26H26N8O3/c1-4-33-16-28-25(32-33)31-22(35)18-15-19-21(29-23(18)37-3)30-24(34(19)5-2)26(36,17-11-7-6-8-12-17)20-13-9-10-14-27-20/h6-16,36H,4-5H2,1-3H3,(H,31,32,35)
InChIKeyYUNFULXKOPHLKO-UHFFFAOYSA-N
MW498.55 g/mol
LogP3.00
Rot. Bonds8

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

1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 156855044) has the molecular formula C26H26N8O3 and a molecular weight of 498.55 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID156855044
Molecular FormulaC26H26N8O3
Molecular Weight498.55 g/mol
Exact Mass498.21
IUPAC Name1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccn2)n3CC)n1
InChIInChI=1S/C26H26N8O3/c1-4-33-16-28-25(32-33)31-22(35)18-15-19-21(29-23(18)37-3)30-24(34(19)5-2)26(36,17-11-7-6-8-12-17)20-13-9-10-14-27-20/h6-16,36H,4-5H2,1-3H3,(H,31,32,35)
InChIKeyYUNFULXKOPHLKO-UHFFFAOYSA-N
XLogP3.00
TPSA132.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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-phenyl-pyridin-2-ylmethyl)-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-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (CID 156855044) is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-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-phenyl-pyridin-2-ylmethyl)-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-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccn2)n3CC)n1.
What is the InChIKey of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is YUNFULXKOPHLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O3/c1-4-33-16-28-25(32-33)31-22(35)18-15-19-21(29-23(18)37-3)30-24(34(19)5-2)26(36,17-11-7-6-8-12-17)20-13-9-10-14-27-20/h6-16,36H,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-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-(hydroxy-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 498.55 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 10 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-phenyl-pyridin-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 156855044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).