4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine

C21H23ClN4O2S — CID 92617109

IUPAC4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1
InChIInChI=1S/C21H23ClN4O2S/c1-15-10-16(11-17-6-3-4-7-18(17)22)12-19(24-15)20-8-5-9-26(20)29(27,28)21-13-25(2)14-23-21/h3-4,6-7,10,12-14,20H,5,8-9,11H2,1-2H3/t20-/m1/s1
InChIKeyFMZOAWLDQKQZPA-HXUWFJFHSA-N
MW430.96 g/mol
LogP3.89
Rot. Bonds5

About 4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine

4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 92617109) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID92617109
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC Name4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1
InChIInChI=1S/C21H23ClN4O2S/c1-15-10-16(11-17-6-3-4-7-18(17)22)12-19(24-15)20-8-5-9-26(20)29(27,28)21-13-25(2)14-23-21/h3-4,6-7,10,12-14,20H,5,8-9,11H2,1-2H3/t20-/m1/s1
InChIKeyFMZOAWLDQKQZPA-HXUWFJFHSA-N
XLogP3.89
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617111
5-[(2-chlorophenyl)methyl]-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 125012750
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979
2-[(3-fluorophenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818487
2-[(3-methoxyphenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818489
1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 124983214
2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole
CID 125001964
5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 124979504
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide
CID 92625334
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110252554
(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide
CID 124978058

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine (CID 92617109) is 4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine is Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is FMZOAWLDQKQZPA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-15-10-16(11-17-6-3-4-7-18(17)22)12-19(24-15)20-8-5-9-26(20)29(27,28)21-13-25(2)14-23-21/h3-4,6-7,10,12-14,20H,5,8-9,11H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 430.96 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 92617109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).