1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone

C20H22N4O2 — CID 83275829

IUPAC1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3nc4ccncc4n3C)C2)cc1
InChIInChI=1S/C20H22N4O2/c1-14-3-5-16(6-4-14)26-13-19(25)24-10-8-15(12-24)20-22-17-7-9-21-11-18(17)23(20)2/h3-7,9,11,15H,8,10,12-13H2,1-2H3
InChIKeyWIGYCXSHORCEAC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.67
Rot. Bonds4

About 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone

1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 83275829) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID83275829
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3nc4ccncc4n3C)C2)cc1
InChIInChI=1S/C20H22N4O2/c1-14-3-5-16(6-4-14)26-13-19(25)24-10-8-15(12-24)20-22-17-7-9-21-11-18(17)23(20)2/h3-7,9,11,15H,8,10,12-13H2,1-2H3
InChIKeyWIGYCXSHORCEAC-UHFFFAOYSA-N
XLogP2.67
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275831
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 83275835
2-(4-methoxyphenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275837
3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95112570
(4-methoxyphenyl)-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429291
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
2-(2-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275839
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379
ethyl 2-[1-[[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 95112604
[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 95112578
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194609

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 83275829) is 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCC(c3nc4ccncc4n3C)C2)cc1.
What is the InChIKey of 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is WIGYCXSHORCEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-3-5-16(6-4-14)26-13-19(25)24-10-8-15(12-24)20-22-17-7-9-21-11-18(17)23(20)2/h3-7,9,11,15H,8,10,12-13H2,1-2H3.
What are the key properties of 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 350.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 83275829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).