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

C22H17F5N4O2S — CID 118195345

IUPAC5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1
InChIInChI=1S/C22H17F5N4O2S/c23-14-5-12(8-28-10-14)17-6-13(9-29-20(17)31-4-3-16(32)11-31)21(33)30-15-1-2-19(18(24)7-15)34-22(25,26)27/h1-2,5-10,16,32H,3-4,11H2,(H,30,33)/t16-/m1/s1
InChIKeyKRUWNFCYFMCNDL-MRXNPFEDSA-N
MW496.46 g/mol
LogP4.86
Rot. Bonds5

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

5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 118195345) has the molecular formula C22H17F5N4O2S and a molecular weight of 496.46 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID118195345
Molecular FormulaC22H17F5N4O2S
Molecular Weight496.46 g/mol
Exact Mass496.10
IUPAC Name5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1
InChIInChI=1S/C22H17F5N4O2S/c23-14-5-12(8-28-10-14)17-6-13(9-29-20(17)31-4-3-16(32)11-31)21(33)30-15-1-2-19(18(24)7-15)34-22(25,26)27/h1-2,5-10,16,32H,3-4,11H2,(H,30,33)/t16-/m1/s1
InChIKeyKRUWNFCYFMCNDL-MRXNPFEDSA-N
XLogP4.86
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 118195334
(3R)-1-[5-[1-[3-fluoro-4-(trifluoromethylsulfanyl)anilino]ethenyl]-3-pyrimidin-5-yl-2-pyridinyl]pyrrolidin-3-ol
CID 134288371
5-(5-fluoro-3-pyridinyl)-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyridine-3-carboxamide
CID 123332859
6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919283
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
5-(6-amino-5-fluoro-3-pyridinyl)-N-[4-(difluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)pyridine-3-carboxamide
CID 123997595
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide (CID 118195345) is 5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide is O=C(Nc1ccc(SC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is KRUWNFCYFMCNDL-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H17F5N4O2S/c23-14-5-12(8-28-10-14)17-6-13(9-29-20(17)31-4-3-16(32)11-31)21(33)30-15-1-2-19(18(24)7-15)34-22(25,26)27/h1-2,5-10,16,32H,3-4,11H2,(H,30,33)/t16-/m1/s1.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide?
5-(5-fluoro-3-pyridinyl)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 496.46 g/mol, XLogP of 4.86, 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)-N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118195345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).