N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide

C26H22F2N4O3S — CID 138725429

IUPACN-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide
SMILESO=C1C[C@H](NS(=O)(=O)C2CC2)C(c2ccc(F)cc2)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H22F2N4O3S/c27-18-3-1-16(2-4-18)26-23(30-36(34,35)22-10-11-22)14-25(33)31(26)21-9-12-24-17(13-21)15-29-32(24)20-7-5-19(28)6-8-20/h1-9,12-13,15,22-23,26,30H,10-11,14H2/t23-,26?/m0/s1
InChIKeyYXQZCQRWKDQNMR-ZZHFZYNASA-N
MW508.55 g/mol
LogP4.23
Rot. Bonds6

About N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide

N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide (PubChem CID 138725429) has the molecular formula C26H22F2N4O3S and a molecular weight of 508.55 g/mol. Its IUPAC name is N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide
PubChem CID138725429
Molecular FormulaC26H22F2N4O3S
Molecular Weight508.55 g/mol
Exact Mass508.14
IUPAC NameN-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide
SMILESO=C1C[C@H](NS(=O)(=O)C2CC2)C(c2ccc(F)cc2)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H22F2N4O3S/c27-18-3-1-16(2-4-18)26-23(30-36(34,35)22-10-11-22)14-25(33)31(26)21-9-12-24-17(13-21)15-29-32(24)20-7-5-19(28)6-8-20/h1-9,12-13,15,22-23,26,30H,10-11,14H2/t23-,26?/m0/s1
InChIKeyYXQZCQRWKDQNMR-ZZHFZYNASA-N
XLogP4.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-(methylamino)-5-phenylpyrrolidin-2-one
CID 170105272
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 138684895
N-[(3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 152859429
N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 138684899
N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 138684599
4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
CID 138684671
N-[(2R,3S)-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684660
N-[(2S,3S)-2-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684522
5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
CID 166989402
(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 170105316
(4S)-4-amino-5-phenylpyrrolidin-2-one;1-fluorocyclopropane-1-carboxylic acid;1-fluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide;1-fluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide;1-fluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide;1-(4-fluorophenyl)-5-iodoindazole
CID 165093551
N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 154598160

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide (CID 138725429) is N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide is O=C1C[C@H](NS(=O)(=O)C2CC2)C(c2ccc(F)cc2)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide?
The InChIKey is YXQZCQRWKDQNMR-ZZHFZYNASA-N. The full InChI is InChI=1S/C26H22F2N4O3S/c27-18-3-1-16(2-4-18)26-23(30-36(34,35)22-10-11-22)14-25(33)31(26)21-9-12-24-17(13-21)15-29-32(24)20-7-5-19(28)6-8-20/h1-9,12-13,15,22-23,26,30H,10-11,14H2/t23-,26?/m0/s1.
What are the key properties of N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide?
N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide has a molecular weight of 508.55 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 138725429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).