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

C21H26N4O2 — CID 25010195

IUPAC2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(OC)c(C2CCN(Cc3nc4cccnc4n3C)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-24-20(23-18-5-4-10-22-21(18)24)14-25-11-8-15(9-12-25)17-13-16(26-2)6-7-19(17)27-3/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3
InChIKeyKGQIVFDAXBKHKR-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.37
Rot. Bonds5

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

2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine (PubChem CID 25010195) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
PubChem CID25010195
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(OC)c(C2CCN(Cc3nc4cccnc4n3C)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-24-20(23-18-5-4-10-22-21(18)24)14-25-11-8-15(9-12-25)17-13-16(26-2)6-7-19(17)27-3/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3
InChIKeyKGQIVFDAXBKHKR-UHFFFAOYSA-N
XLogP3.37
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-butoxy-5-chlorophenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25010545
2-[[4-(2-methoxyphenyl)-3-methylpiperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25008791
2-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 25009298
1-[2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]benzimidazole
CID 135098174
2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole
CID 50953533
2-[3-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanamine
CID 92594575
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42473072
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286885
2-[[(1S,5R)-6-[(2-chloro-4-methylphenoxy)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25050692
2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine
CID 69163958
N-(2,4-dimethoxyphenyl)-4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389548
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine (CID 25010195) is 2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine is COc1ccc(OC)c(C2CCN(Cc3nc4cccnc4n3C)CC2)c1.
What is the InChIKey of 2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine?
The InChIKey is KGQIVFDAXBKHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24-20(23-18-5-4-10-22-21(18)24)14-25-11-8-15(9-12-25)17-13-16(26-2)6-7-19(17)27-3/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3.
What are the key properties of 2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine?
2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine has a molecular weight of 366.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 25010195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).