2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine

C20H23ClN4O2S — CID 83277271

IUPAC2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3nc4ccncc4n3C(C)C)C2)cc1Cl
InChIInChI=1S/C20H23ClN4O2S/c1-13(2)25-19-11-22-8-6-18(19)23-20(25)15-7-9-24(12-15)28(26,27)16-5-4-14(3)17(21)10-16/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3
InChIKeyDKJGYIRIHNMEEX-UHFFFAOYSA-N
MW418.95 g/mol
LogP4.15
Rot. Bonds4

About 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine

2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 83277271) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID83277271
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC Name2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3nc4ccncc4n3C(C)C)C2)cc1Cl
InChIInChI=1S/C20H23ClN4O2S/c1-13(2)25-19-11-22-8-6-18(19)23-20(25)15-7-9-24(12-15)28(26,27)16-5-4-14(3)17(21)10-16/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3
InChIKeyDKJGYIRIHNMEEX-UHFFFAOYSA-N
XLogP4.15
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine
CID 97429552
2-[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-c]pyridine
CID 95112621
N-[4-methyl-2-[(3R)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 97429548
3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 83275870
3-ethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 53194802
(4-chlorophenyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429422
(3R)-N-(3,5-dimethylphenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429488
2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83272939
(6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429441
N-(2,5-difluorophenyl)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 83272951
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
5-[1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 121117772

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine (CID 83277271) is 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine is Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccncc4n3C(C)C)C2)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is DKJGYIRIHNMEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c1-13(2)25-19-11-22-8-6-18(19)23-20(25)15-7-9-24(12-15)28(26,27)16-5-4-14(3)17(21)10-16/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3.
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine?
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 418.95 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 83277271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).