3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine

C18H20N4O2S — CID 83275870

IUPAC3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
SMILESCc1cccc(S(=O)(=O)N2CCC(c3nc4ccncc4n3C)C2)c1
InChIInChI=1S/C18H20N4O2S/c1-13-4-3-5-15(10-13)25(23,24)22-9-7-14(12-22)18-20-16-6-8-19-11-17(16)21(18)2/h3-6,8,10-11,14H,7,9,12H2,1-2H3
InChIKeyJGBSQHYSBJMREW-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.45
Rot. Bonds3

About 3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine

3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine (PubChem CID 83275870) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
PubChem CID83275870
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
SMILESCc1cccc(S(=O)(=O)N2CCC(c3nc4ccncc4n3C)C2)c1
InChIInChI=1S/C18H20N4O2S/c1-13-4-3-5-15(10-13)25(23,24)22-9-7-14(12-22)18-20-16-6-8-19-11-17(16)21(18)2/h3-6,8,10-11,14H,7,9,12H2,1-2H3
InChIKeyJGBSQHYSBJMREW-UHFFFAOYSA-N
XLogP2.45
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine
CID 95112621
3-methyl-2-[(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110344
1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole
CID 91947112
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
CID 83277271
3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 53194802
2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
CID 97429552
1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 83275835
2-(2-fluorophenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275839
N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 97429548
(3-chlorophenyl)-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429352
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 95112673

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine (CID 83275870) is 3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine is Cc1cccc(S(=O)(=O)N2CCC(c3nc4ccncc4n3C)C2)c1.
What is the InChIKey of 3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The InChIKey is JGBSQHYSBJMREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-4-3-5-15(10-13)25(23,24)22-9-7-14(12-22)18-20-16-6-8-19-11-17(16)21(18)2/h3-6,8,10-11,14H,7,9,12H2,1-2H3.
What are the key properties of 3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine?
3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine has a molecular weight of 356.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 83275870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).