(2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C24H18F5N5O3S — CID 135341254

IUPAC(2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESN#Cc1cnc(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)[C@@H]1C(F)CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H18F5N5O3S/c25-17-2-4-18(5-3-17)38(36,37)34-8-7-19(26)22(34)23(35)33-12-15-9-20(31-13-16(15)10-30)14-1-6-21(32-11-14)24(27,28)29/h1-6,9,11,13,19,22H,7-8,12H2,(H,33,35)/t19?,22-/m0/s1
InChIKeyJJXVVDMOIHAKHG-BPARTEKVSA-N
MW551.50 g/mol
LogP3.59
Rot. Bonds6

About (2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 135341254) has the molecular formula C24H18F5N5O3S and a molecular weight of 551.50 g/mol. Its IUPAC name is (2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID135341254
Molecular FormulaC24H18F5N5O3S
Molecular Weight551.50 g/mol
Exact Mass551.11
IUPAC Name(2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESN#Cc1cnc(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)[C@@H]1C(F)CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H18F5N5O3S/c25-17-2-4-18(5-3-17)38(36,37)34-8-7-19(26)22(34)23(35)33-12-15-9-20(31-13-16(15)10-30)14-1-6-21(32-11-14)24(27,28)29/h1-6,9,11,13,19,22H,7-8,12H2,(H,33,35)/t19?,22-/m0/s1
InChIKeyJJXVVDMOIHAKHG-BPARTEKVSA-N
XLogP3.59
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carbonitrile
CID 153084234
N-[[5-ethynyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 123995464
(1R,2R,5S)-3-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 122514862
(2S,4R,5S)-N-[[2-cyano-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide
CID 122489374
N-[[5-cyclopropyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide
CID 122514907
(4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 139443833
(1S,2S,5R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-3-(4-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 122532933
4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 122514814
(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[5-(2,2,2-trifluoroethoxy)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 122490005
(2S,4R)-N-[[5-chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 118019694
(2S,4R)-N-[[5-cyano-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 118019668
N-[[5-cyano-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 118007980

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 135341254) is (2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is N#Cc1cnc(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)[C@@H]1C(F)CCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is JJXVVDMOIHAKHG-BPARTEKVSA-N. The full InChI is InChI=1S/C24H18F5N5O3S/c25-17-2-4-18(5-3-17)38(36,37)34-8-7-19(26)22(34)23(35)33-12-15-9-20(31-13-16(15)10-30)14-1-6-21(32-11-14)24(27,28)29/h1-6,9,11,13,19,22H,7-8,12H2,(H,33,35)/t19?,22-/m0/s1.
What are the key properties of (2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 551.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-cyano-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 135341254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).