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

C27H26N6O4 — CID 156855108

IUPAC1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1nnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)o1
InChIInChI=1S/C27H26N6O4/c1-4-21-31-32-26(37-21)30-23(34)19-16-20-22(28-24(19)36-3)29-25(33(20)5-2)27(35,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,35H,4-5H2,1-3H3,(H,30,32,34)
InChIKeyUINJFCGQWKSGOC-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.94
Rot. Bonds8

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

1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 156855108) has the molecular formula C27H26N6O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is 1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID156855108
Molecular FormulaC27H26N6O4
Molecular Weight498.54 g/mol
Exact Mass498.20
IUPAC Name1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1nnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)o1
InChIInChI=1S/C27H26N6O4/c1-4-21-31-32-26(37-21)30-23(34)19-16-20-22(28-24(19)36-3)29-25(33(20)5-2)27(35,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,35H,4-5H2,1-3H3,(H,30,32,34)
InChIKeyUINJFCGQWKSGOC-UHFFFAOYSA-N
XLogP3.94
TPSA128.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-N-(4-ethyl-1,3-oxazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164614889
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-[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-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
2-[4-(difluoromethoxy)phenyl](hydroxy) ph enylmethyl]-1-ethyl-N-(1-ethyl-1H-1,2,4-triazol-3-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 156855093
2-{[4-(difluoromethoxy)phenyl](hydroxy)ph enylmethyl}-1-ethyl-N-(1-ethyl-1H-pyrazol-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 168678849
2-{[4-(difluoromethoxy)phenyl](2-fluorophenyl)hydroxymethyl}-1-ethyl-N-(1-ethyl-1H-pyrazol-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 168678852
2-[bis(2-fluorophenyl)(hydroxy)methyl]-1-ethyl-N-(1-ethyl-1H-pyrazol-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 168678857

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (CID 156855108) is 1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is CCc1nnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)o1.
What is the InChIKey of 1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is UINJFCGQWKSGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O4/c1-4-21-31-32-26(37-21)30-23(34)19-16-20-22(28-24(19)36-3)29-25(33(20)5-2)27(35,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,35H,4-5H2,1-3H3,(H,30,32,34).
What are the key properties of 1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?
1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-[hydroxy(diphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 156855108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).