2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine

C21H26N4O — CID 25008792

IUPAC2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
SMILESCOc1ccccc1C1CCN(Cc2nc3ncccc3n2C)CC1C
InChIInChI=1S/C21H26N4O/c1-15-13-25(12-10-16(15)17-7-4-5-9-19(17)26-3)14-20-23-21-18(24(20)2)8-6-11-22-21/h4-9,11,15-16H,10,12-14H2,1-3H3
InChIKeyPRHNGBLWYOOVNH-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.60
Rot. Bonds4

About 2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine

2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine (PubChem CID 25008792) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
PubChem CID25008792
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
SMILESCOc1ccccc1C1CCN(Cc2nc3ncccc3n2C)CC1C
InChIInChI=1S/C21H26N4O/c1-15-13-25(12-10-16(15)17-7-4-5-9-19(17)26-3)14-20-23-21-18(24(20)2)8-6-11-22-21/h4-9,11,15-16H,10,12-14H2,1-3H3
InChIKeyPRHNGBLWYOOVNH-UHFFFAOYSA-N
XLogP3.60
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3R,4R)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 51357936
2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25008791
2-[[4-[3-(111C)methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 159345660
2-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25009298
2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine
CID 69163958
2-[[(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylbenzimidazole
CID 69245438
2-[[4-[2-fluoro-5-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25008790
2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25010195
2-[[4-[3-ethenoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 166706029
2-(2-methoxyphenyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 110096855
(3S,4R)-4-(2-methoxyphenyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 70742169
(3R,4S)-4-(2-methoxyphenyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 164634905

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine (CID 25008792) is 2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine is COc1ccccc1C1CCN(Cc2nc3ncccc3n2C)CC1C.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The InChIKey is PRHNGBLWYOOVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-13-25(12-10-16(15)17-7-4-5-9-19(17)26-3)14-20-23-21-18(24(20)2)8-6-11-22-21/h4-9,11,15-16H,10,12-14H2,1-3H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine has a molecular weight of 350.47 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 25008792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).