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

C20H22N4O — CID 83275835

IUPAC1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3nc4ccncc4n3C)C2)cc1
InChIInChI=1S/C20H22N4O/c1-14-3-5-15(6-4-14)11-19(25)24-10-8-16(13-24)20-22-17-7-9-21-12-18(17)23(20)2/h3-7,9,12,16H,8,10-11,13H2,1-2H3
InChIKeyMEHYORXFFCJGDS-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.84
Rot. Bonds3

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

1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 83275835) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID83275835
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3nc4ccncc4n3C)C2)cc1
InChIInChI=1S/C20H22N4O/c1-14-3-5-15(6-4-14)11-19(25)24-10-8-16(13-24)20-22-17-7-9-21-12-18(17)23(20)2/h3-7,9,12,16H,8,10-11,13H2,1-2H3
InChIKeyMEHYORXFFCJGDS-UHFFFAOYSA-N
XLogP2.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275837
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 83275829
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95112570
2-(2-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275839
1-[(3R)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 95110073
2-(4-fluorophenoxy)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275831
[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 95112578
(4-methoxyphenyl)-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429291
ethyl 2-[1-[[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 95112604
(3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429352
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone (CID 83275835) is 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=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-methylphenyl)ethanone?
The InChIKey is MEHYORXFFCJGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-3-5-15(6-4-14)11-19(25)24-10-8-16(13-24)20-22-17-7-9-21-12-18(17)23(20)2/h3-7,9,12,16H,8,10-11,13H2,1-2H3.
What are the key properties of 1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone?
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 334.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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-methylphenyl)ethanone is sourced from PubChem (CID 83275835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).