2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine

C27H28F3N3O2S — CID 157168133

IUPAC2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine
SMILESC[C@@H]1CCCN(c2cccc(S(=O)(=O)Cc3ccc(C(F)(F)F)c(-c4ccccc4C4CC4)n3)n2)C1
InChIInChI=1S/C27H28F3N3O2S/c1-18-6-5-15-33(16-18)24-9-4-10-25(32-24)36(34,35)17-20-13-14-23(27(28,29)30)26(31-20)22-8-3-2-7-21(22)19-11-12-19/h2-4,7-10,13-14,18-19H,5-6,11-12,15-17H2,1H3/t18-/m1/s1
InChIKeyQIVOZBAPGFYLMS-GOSISDBHSA-N
MW515.60 g/mol
LogP6.25
Rot. Bonds6

About 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine

2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine (PubChem CID 157168133) has the molecular formula C27H28F3N3O2S and a molecular weight of 515.60 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine
PubChem CID157168133
Molecular FormulaC27H28F3N3O2S
Molecular Weight515.60 g/mol
Exact Mass515.19
IUPAC Name2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine
SMILESC[C@@H]1CCCN(c2cccc(S(=O)(=O)Cc3ccc(C(F)(F)F)c(-c4ccccc4C4CC4)n3)n2)C1
InChIInChI=1S/C27H28F3N3O2S/c1-18-6-5-15-33(16-18)24-9-4-10-25(32-24)36(34,35)17-20-13-14-23(27(28,29)30)26(31-20)22-8-3-2-7-21(22)19-11-12-19/h2-4,7-10,13-14,18-19H,5-6,11-12,15-17H2,1H3/t18-/m1/s1
InChIKeyQIVOZBAPGFYLMS-GOSISDBHSA-N
XLogP6.25
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.60
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)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

carbon dioxide;6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-2-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyridine
CID 161125768
6-(2-cyclopropylphenyl)-N-[[6-(3-methylpiperidin-1-yl)-2-pyridinyl]sulfanyl]-5-(trifluoromethyl)pyridin-2-amine
CID 166716770
1-[6-[[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134306615
2-[(3R)-1-[6-[[6-(2-ethylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-3-yl]acetic acid
CID 155046836
6-(2-cyclopropylphenyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 162607435
2-[(3R)-1-[6-[[6-(2-ethenylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-3-yl]acetic acid
CID 155046899
6-amino-N-[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344472
N-[5-[difluoro(phosphanyl)methyl]-6-(6-ethylcyclohexa-1,5-dien-1-yl)-2-pyridinyl]-6-(3-methylpiperidin-1-yl)pyridine-2-sulfonamide
CID 155055613
2-methyl-N-[[6-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285603
1-[6-[[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]sulfanyl-2-pyridinyl]-4-methylpiperidine-4-carbaldehyde
CID 166716625
6-(7,7-difluoro-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134328863
6-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134344533

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine (CID 157168133) is 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine is C[C@@H]1CCCN(c2cccc(S(=O)(=O)Cc3ccc(C(F)(F)F)c(-c4ccccc4C4CC4)n3)n2)C1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine?
The InChIKey is QIVOZBAPGFYLMS-GOSISDBHSA-N. The full InChI is InChI=1S/C27H28F3N3O2S/c1-18-6-5-15-33(16-18)24-9-4-10-25(32-24)36(34,35)17-20-13-14-23(27(28,29)30)26(31-20)22-8-3-2-7-21(22)19-11-12-19/h2-4,7-10,13-14,18-19H,5-6,11-12,15-17H2,1H3/t18-/m1/s1.
What are the key properties of 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine?
2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine has a molecular weight of 515.60 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-6-[[6-[(3R)-3-methylpiperidin-1-yl]-2-pyridinyl]sulfonylmethyl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 157168133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).