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

C26H25N7O3 — CID 168678824

IUPACN-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3C)n1
InChIInChI=1S/C26H25N7O3/c1-4-33-16-27-25(31-33)30-22(34)19-15-20-21(28-23(19)36-3)29-24(32(20)2)26(35,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,35H,4H2,1-3H3,(H,30,31,34)
InChIKeyKQOYXFMSPVAWKD-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.12
Rot. Bonds7

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

N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 168678824) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID168678824
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC NameN-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3C)n1
InChIInChI=1S/C26H25N7O3/c1-4-33-16-27-25(31-33)30-22(34)19-15-20-21(28-23(19)36-3)29-24(32(20)2)26(35,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,35H,4H2,1-3H3,(H,30,31,34)
InChIKeyKQOYXFMSPVAWKD-UHFFFAOYSA-N
XLogP3.12
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 168678824) is N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide is CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3C)n1.
What is the InChIKey of N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is KQOYXFMSPVAWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-4-33-16-27-25(31-33)30-22(34)19-15-20-21(28-23(19)36-3)29-24(32(20)2)26(35,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,35H,4H2,1-3H3,(H,30,31,34).
What are the key properties of N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxy-1-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168678824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).