5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

C22H18F4N4O2S — CID 118195334

IUPAC5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2cncc(F)c2)c1
InChIInChI=1S/C22H18F4N4O2S/c23-15-7-13(9-27-11-15)19-8-14(10-28-20(19)30-6-5-17(31)12-30)21(32)29-16-1-3-18(4-2-16)33-22(24,25)26/h1-4,7-11,17,31H,5-6,12H2,(H,29,32)
InChIKeyOOJUYQYOGSIFSN-UHFFFAOYSA-N
MW478.47 g/mol
LogP4.72
Rot. Bonds5

About 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (PubChem CID 118195334) has the molecular formula C22H18F4N4O2S and a molecular weight of 478.47 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
PubChem CID118195334
Molecular FormulaC22H18F4N4O2S
Molecular Weight478.47 g/mol
Exact Mass478.11
IUPAC Name5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2cncc(F)c2)c1
InChIInChI=1S/C22H18F4N4O2S/c23-15-7-13(9-27-11-15)19-8-14(10-28-20(19)30-6-5-17(31)12-30)21(32)29-16-1-3-18(4-2-16)33-22(24,25)26/h1-4,7-11,17,31H,5-6,12H2,(H,29,32)
InChIKeyOOJUYQYOGSIFSN-UHFFFAOYSA-N
XLogP4.72
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide 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

5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
CID 118195345
5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide
CID 123332859
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 118198901
6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 118195308
5-(5-chloro-3-pyridinyl)-N-[4-[difluoro(iodo)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
CID 134288411
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 118919228
5-(5-fluoro-3-pyridinyl)-6-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919223
6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919283
6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 118195179
6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919372
(3R)-1-[5-[1-[3-fluoro-4-(trifluoromethylsulfanyl)anilino]ethenyl]-3-pyrimidin-5-yl-2-pyridinyl]pyrrolidin-3-ol
CID 134288371
5-(4,5-dihydro-3H-pyrazol-3-yl)-6-(3-hydroxypyrrolidin-1-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]pyridine-3-carboxamide
CID 123509084

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (CID 118195334) is 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CCC(O)C2)c(-c2cncc(F)c2)c1.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OOJUYQYOGSIFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O2S/c23-15-7-13(9-27-11-15)19-8-14(10-28-20(19)30-6-5-17(31)12-30)21(32)29-16-1-3-18(4-2-16)33-22(24,25)26/h1-4,7-11,17,31H,5-6,12H2,(H,29,32).
What are the key properties of 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide has a molecular weight of 478.47 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).