2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine

C23H26N2O3S — CID 59331433

IUPAC2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine
SMILESCS(=O)(=O)c1ccc(C(CC2CCOCC2)c2ccc(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C23H26N2O3S/c1-29(26,27)19-7-5-18(6-8-19)20(16-17-11-14-28-15-12-17)21-9-10-23(25-21)22-4-2-3-13-24-22/h2-10,13,17,20,25H,11-12,14-16H2,1H3
InChIKeyKGVPNVZDTUGYLX-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.43
Rot. Bonds6

About 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine

2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine (PubChem CID 59331433) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine
PubChem CID59331433
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine
SMILESCS(=O)(=O)c1ccc(C(CC2CCOCC2)c2ccc(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C23H26N2O3S/c1-29(26,27)19-7-5-18(6-8-19)20(16-17-11-14-28-15-12-17)21-9-10-23(25-21)22-4-2-3-13-24-22/h2-10,13,17,20,25H,11-12,14-16H2,1H3
InChIKeyKGVPNVZDTUGYLX-UHFFFAOYSA-N
XLogP4.43
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine-3-carboxylic acid
CID 59331614
4-[5-[2-cyclopentyl-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrol-2-yl]-1-methylimidazole
CID 59331505
2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine
CID 59331317
1-[4-[[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 25107074
5-(4-methylsulfonylphenyl)-6-(oxan-4-yl)-1-pyridin-2-ylhexane-1,4-dione
CID 59331326
5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrole-2-carboxylic acid
CID 59331501
5-chloro-2-[5-[1-(5-methylsulfonyl-2-pyridinyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-1,3-thiazole
CID 59331557
5-[2-[2-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-1,3-thiazol-5-yl]ethyl]-3H-1,3,4-oxadiazol-2-one
CID 59331399
tert-butyl N-[2-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 67228593
1-[6-[5-[2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethyl]-1H-pyrrol-2-yl]-3-pyridinyl]ethane-1,2-diol
CID 59331304
2-[2-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-1,3-thiazol-5-yl]-3-methoxybutan-2-ol
CID 70916780
2-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazole
CID 59331223

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine (CID 59331433) is 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine is CS(=O)(=O)c1ccc(C(CC2CCOCC2)c2ccc(-c3ccccn3)[nH]2)cc1.
What is the InChIKey of 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine?
The InChIKey is KGVPNVZDTUGYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-29(26,27)19-7-5-18(6-8-19)20(16-17-11-14-28-15-12-17)21-9-10-23(25-21)22-4-2-3-13-24-22/h2-10,13,17,20,25H,11-12,14-16H2,1H3.
What are the key properties of 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine?
2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine has a molecular weight of 410.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 59331433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).