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

C27H27N7O4 — CID 156855028

IUPAC1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(OC)c(C(=O)Nc3ncn(CCO)n3)cc21
InChIInChI=1S/C27H27N7O4/c1-3-34-21-16-20(23(36)31-26-28-17-33(32-26)14-15-35)24(38-2)29-22(21)30-25(34)27(37,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,35,37H,3,14-15H2,1-2H3,(H,31,32,36)
InChIKeyPZCPXXQJZXQDCF-UHFFFAOYSA-N
MW513.56 g/mol
LogP2.58
Rot. Bonds9

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

1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 156855028) has the molecular formula C27H27N7O4 and a molecular weight of 513.56 g/mol. Its IUPAC name is 1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID156855028
Molecular FormulaC27H27N7O4
Molecular Weight513.56 g/mol
Exact Mass513.21
IUPAC Name1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(OC)c(C(=O)Nc3ncn(CCO)n3)cc21
InChIInChI=1S/C27H27N7O4/c1-3-34-21-16-20(23(36)31-26-28-17-33(32-26)14-15-35)24(38-2)29-22(21)30-25(34)27(37,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,35,37H,3,14-15H2,1-2H3,(H,31,32,36)
InChIKeyPZCPXXQJZXQDCF-UHFFFAOYSA-N
XLogP2.58
TPSA140.21 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.56
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[[4-(difluoromethoxy)phenyl]-(2-fluorophenyl)-hydroxymethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 156855037
[1-ethyl-5-methoxy-6-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridin-2-yl]-diphenylmethanol
CID 156855165
1-ethyl-N-(4-ethyl-1,3-oxazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164614889
1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(dithiophen-2-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164623287
2-[bis(2-fluorophenyl)-hydroxymethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164626191
1-ethyl-N-(5-ethyl-1,3-oxazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164627154
2-[bis(2-fluorophenyl)(hydroxy)methyl]-5-chloro-1-ethyl-N-(1-ethyl-1H-1,2,4-triazol-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 156854988
2-[4-(difluoromethoxy)-2-fluorophenyl](2-fluorophenyl)hydroxymethyl]-1-ethyl-N-(1-ethyl-1H-1,2,4-triazol-3-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 156855000
2-[4-(difluoromethoxy)-2-fluorophenyl](2-fluorophenyl)hydroxymethyl]-1-ethyl-N-(1-ethyl-1H-1,2,4-triazol-3-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 156855009
2-{[4-(difluoromethoxy)-2-fluorophenyl](hydroxy)phenylmethyl}-1-ethyl-N-(1-ethyl-1H-pyrazol-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 156855039
2-[bis(2-fluorophenyl)(hydroxy)methyl]-1-ethyl-N-(1-ethyl-1H-1,2,4-triazol-3-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 156855040
2-[Bis-(2-fluoro-phenyl)-hydroxy-methyl]-3-ethyl-7-methoxy-imidazo[1,2-a]pyridine-6-carboxylic acid (1-ethyl-1H-[1,2,4]triazol-3-yl)-amide
CID 156855063

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (CID 156855028) is 1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2nc(OC)c(C(=O)Nc3ncn(CCO)n3)cc21.
What is the InChIKey of 1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is PZCPXXQJZXQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O4/c1-3-34-21-16-20(23(36)31-26-28-17-33(32-26)14-15-35)24(38-2)29-22(21)30-25(34)27(37,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,35,37H,3,14-15H2,1-2H3,(H,31,32,36).
What are the key properties of 1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 513.56 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 156855028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).