N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide

C24H24N4O2 — CID 131841642

IUPACN-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCOc1ccc(Cn2c(CNC(=O)Cc3cccc(C)c3)nc3cccnc32)cc1
InChIInChI=1S/C24H24N4O2/c1-17-5-3-6-19(13-17)14-23(29)26-15-22-27-21-7-4-12-25-24(21)28(22)16-18-8-10-20(30-2)11-9-18/h3-13H,14-16H2,1-2H3,(H,26,29)
InChIKeyXKFHWGCVJOOJBD-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.66
Rot. Bonds7

About N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide

N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 131841642) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID131841642
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCOc1ccc(Cn2c(CNC(=O)Cc3cccc(C)c3)nc3cccnc32)cc1
InChIInChI=1S/C24H24N4O2/c1-17-5-3-6-19(13-17)14-23(29)26-15-22-27-21-7-4-12-25-24(21)28(22)16-18-8-10-20(30-2)11-9-18/h3-13H,14-16H2,1-2H3,(H,26,29)
InChIKeyXKFHWGCVJOOJBD-UHFFFAOYSA-N
XLogP3.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cambritaxestat
CID 122199235
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
(2R)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}ethyl]piperidine-2-carboxamide
CID 15945877
(2S)-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}ethyl]piperidine-2-carboxamide
CID 16114403
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
7-(2,2-Dimethylpropyl)-6-[(5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 10004326
N-Butyl-2-(6,8-dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methylacetamide
CID 24945827

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide (CID 131841642) is N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide is COc1ccc(Cn2c(CNC(=O)Cc3cccc(C)c3)nc3cccnc32)cc1.
What is the InChIKey of N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is XKFHWGCVJOOJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-5-3-6-19(13-17)14-23(29)26-15-22-27-21-7-4-12-25-24(21)28(22)16-18-8-10-20(30-2)11-9-18/h3-13H,14-16H2,1-2H3,(H,26,29).
What are the key properties of N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide?
N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 131841642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).