1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide

C24H24ClF2N3O4S — CID 123240487

IUPAC1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide
SMILESCC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3F)CN2C(=O)C2(c3ncc(Cl)cc3F)CC2)CC1
InChIInChI=1S/C24H24ClF2N3O4S/c1-23(6-7-23)29-21(31)18-11-15(35(33,34)19-5-3-2-4-16(19)26)13-30(18)22(32)24(8-9-24)20-17(27)10-14(25)12-28-20/h2-5,10,12,15,18H,6-9,11,13H2,1H3,(H,29,31)
InChIKeyGTAJXIXJHSVRPV-UHFFFAOYSA-N
MW523.99 g/mol
LogP3.16
Rot. Bonds6

About 1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide

1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide (PubChem CID 123240487) has the molecular formula C24H24ClF2N3O4S and a molecular weight of 523.99 g/mol. Its IUPAC name is 1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide
PubChem CID123240487
Molecular FormulaC24H24ClF2N3O4S
Molecular Weight523.99 g/mol
Exact Mass523.11
IUPAC Name1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide
SMILESCC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3F)CN2C(=O)C2(c3ncc(Cl)cc3F)CC2)CC1
InChIInChI=1S/C24H24ClF2N3O4S/c1-23(6-7-23)29-21(31)18-11-15(35(33,34)19-5-3-2-4-16(19)26)13-30(18)22(32)24(8-9-24)20-17(27)10-14(25)12-28-20/h2-5,10,12,15,18H,6-9,11,13H2,1H3,(H,29,31)
InChIKeyGTAJXIXJHSVRPV-UHFFFAOYSA-N
XLogP3.16
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.99
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-N-(1-cyanocyclopropyl)-1-[1-(3-fluoro-5-iodo-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 73294953
(2S,4R)-1-[3-(5-Bromo-3-fluoro-pyridin-2-yl)-azetidine-3-carbonyl]-4-(2-chloro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide
CID 71679559
(2S,4R)-1-(1-(5-chloro-3-fluoropyridin-2-yl)cyclopropanecarbonyl)-4-(2-chlorophenylsulfonyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)pyrrolidine-2-carboxamide
CID 71577303
(2S,4R)-1-[1-(5-chloro-3-fluoropyridin-2-yl)cyclopropanecarbonyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 71577388
(2S,4R)-1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-chlorophenyl)sulfonyl-N-[(3S)-1-(cyclopropylamino)-1,2-dioxopentan-3-yl]pyrrolidine-2-carboxamide
CID 71577390
(2S,4R)-1-(1-(5-chloro-3-fluoropyridin-2-yl)cyclopropanecarbonyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-4-(2-(trifluoromethyl)phenylsulfonyl)pyrrolidine-2-carboxamide
CID 71577391
(2S,4R)-1-(1-(5-chloro-3-fluoropyridin-2-yl)cyclopropanecarbonyl)-4-(2-chlorophenylsulfonyl)-N-((S)-1-(cyclopropylamino)-4-methyl-1,2-dioxopentan-3-yl)pyrrolidine-2-carboxamide
CID 71577974
(2S,4R)-1-[3-(5-Bromo-3-fluoro-pyridin-2-yl)-1-methyl-azetidine-3-carbonyl]-4-(2-chloro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide
CID 71679560
(2S,4R)-1-[3-(5-bromo-3-fluoro-2-pyridinyl)-1-ethylazetidine-3-carbonyl]-4-(2-chlorophenyl)sulfonyl-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide
CID 71679707
tert-butyl 2-[(2S,4R)-4-(2-chloro-4-fluorophenyl)sulfonyl-2-[(1-cyanocyclopropyl)carbamoyl]pyrrolidine-1-carbonyl]-2-(5-chloro-3-fluoro-2-pyridinyl)azetidine-1-carboxylate
CID 71679876
tert-butyl 2-(5-bromo-3-fluoro-2-pyridinyl)-2-[(2S,4R)-4-(2-chloro-4-fluorophenyl)sulfonyl-2-[(1-cyanocyclopropyl)carbamoyl]pyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 71679877
(2S,4R)-4-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-1-[1-(3-fluoro-5-iodo-2-pyridinyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
CID 73058381

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide (CID 123240487) is 1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide is CC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3F)CN2C(=O)C2(c3ncc(Cl)cc3F)CC2)CC1.
What is the InChIKey of 1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide?
The InChIKey is GTAJXIXJHSVRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N3O4S/c1-23(6-7-23)29-21(31)18-11-15(35(33,34)19-5-3-2-4-16(19)26)13-30(18)22(32)24(8-9-24)20-17(27)10-14(25)12-28-20/h2-5,10,12,15,18H,6-9,11,13H2,1H3,(H,29,31).
What are the key properties of 1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide?
1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide has a molecular weight of 523.99 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-3-fluoro-2-pyridinyl)cyclopropanecarbonyl]-4-(2-fluorophenyl)sulfonyl-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123240487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).