2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine

C24H30N4O2S — CID 92617232

IUPAC2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine
SMILESCCn1cc(S(=O)(=O)N2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)c(C)n1
InChIInChI=1S/C24H30N4O2S/c1-5-27-16-24(19(4)26-27)31(29,30)28-11-7-10-23(28)22-15-21(13-18(3)25-22)14-20-9-6-8-17(2)12-20/h6,8-9,12-13,15-16,23H,5,7,10-11,14H2,1-4H3/t23-/m0/s1
InChIKeyOQQWVLVGEJJVOX-QHCPKHFHSA-N
MW438.60 g/mol
LogP4.34
Rot. Bonds6

About 2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine

2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine (PubChem CID 92617232) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine
PubChem CID92617232
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine
SMILESCCn1cc(S(=O)(=O)N2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)c(C)n1
InChIInChI=1S/C24H30N4O2S/c1-5-27-16-24(19(4)26-27)31(29,30)28-11-7-10-23(28)22-15-21(13-18(3)25-22)14-20-9-6-8-17(2)12-20/h6,8-9,12-13,15-16,23H,5,7,10-11,14H2,1-4H3/t23-/m0/s1
InChIKeyOQQWVLVGEJJVOX-QHCPKHFHSA-N
XLogP4.34
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine
CID 95814484
6-methyl-N-[6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 95835761
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617111
4-[(2-chlorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617109
6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835763
(8-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92617149
N-[2-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95816474
1-[4-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95816466
1-(2,5-dimethylphenyl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17301236
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95814280
1-[(3R)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95816388
2-[1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methylpyrazine
CID 110114115

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine?
The IUPAC name of 2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine (CID 92617232) is 2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine.
What is the SMILES notation for 2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine?
The canonical SMILES for 2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine is CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)c(C)n1.
What is the InChIKey of 2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine?
The InChIKey is OQQWVLVGEJJVOX-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-5-27-16-24(19(4)26-27)31(29,30)28-11-7-10-23(28)22-15-21(13-18(3)25-22)14-20-9-6-8-17(2)12-20/h6,8-9,12-13,15-16,23H,5,7,10-11,14H2,1-4H3/t23-/m0/s1.
What are the key properties of 2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine?
2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine has a molecular weight of 438.60 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine is sourced from PubChem (CID 92617232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).