3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine

C28H29ClN4O3 — CID 42431690

IUPAC3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc(CCc2nc3cccnc3n2C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)cc1
InChIInChI=1S/C28H29ClN4O3/c1-34-22-7-4-19(5-8-22)6-9-27-31-24-3-2-12-30-28(24)33(27)21-10-13-32(14-11-21)17-20-15-25-26(16-23(20)29)36-18-35-25/h2-5,7-8,12,15-16,21H,6,9-11,13-14,17-18H2,1H3
InChIKeyMDGJZONSJJESCJ-UHFFFAOYSA-N
MW505.02 g/mol
LogP5.44
Rot. Bonds7

About 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine

3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 42431690) has the molecular formula C28H29ClN4O3 and a molecular weight of 505.02 g/mol. Its IUPAC name is 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine
PubChem CID42431690
Molecular FormulaC28H29ClN4O3
Molecular Weight505.02 g/mol
Exact Mass504.19
IUPAC Name3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc(CCc2nc3cccnc3n2C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)cc1
InChIInChI=1S/C28H29ClN4O3/c1-34-22-7-4-19(5-8-22)6-9-27-31-24-3-2-12-30-28(24)33(27)21-10-13-32(14-11-21)17-20-15-25-26(16-23(20)29)36-18-35-25/h2-5,7-8,12,15-16,21H,6,9-11,13-14,17-18H2,1H3
InChIKeyMDGJZONSJJESCJ-UHFFFAOYSA-N
XLogP5.44
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.02
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine
CID 42420359
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484331
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42473072
3-(1H-imidazol-5-yl)-1-[4-[2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 171138300
[5-(methoxymethyl)furan-2-yl]-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42167277
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 26278368
2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42276683
5-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 95830030
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 42421954
[(4R)-2,2-dimethyloxan-4-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42451966

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine (CID 42431690) is 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine is COc1ccc(CCc2nc3cccnc3n2C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)cc1.
What is the InChIKey of 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is MDGJZONSJJESCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3/c1-34-22-7-4-19(5-8-22)6-9-27-31-24-3-2-12-30-28(24)33(27)21-10-13-32(14-11-21)17-20-15-25-26(16-23(20)29)36-18-35-25/h2-5,7-8,12,15-16,21H,6,9-11,13-14,17-18H2,1H3.
What are the key properties of 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine?
3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 505.02 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 42431690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).