3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one

C25H16ClFN4O2 — CID 132533038

IUPAC3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1c1c(-c2ccc(Cl)cc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C25H16ClFN4O2/c26-14-8-6-13(7-9-14)22-20(19-17-12-15(27)10-11-18(17)28-24(19)32)21-23(29-22)30-31(25(21)33)16-4-2-1-3-5-16/h1-12,19,29-30H,(H,28,32)
InChIKeyHPWHZYRTNFYVCC-UHFFFAOYSA-N
MW458.88 g/mol
LogP5.19
Rot. Bonds3

About 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one

3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 132533038) has the molecular formula C25H16ClFN4O2 and a molecular weight of 458.88 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one
PubChem CID132533038
Molecular FormulaC25H16ClFN4O2
Molecular Weight458.88 g/mol
Exact Mass458.09
IUPAC Name3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1c1c(-c2ccc(Cl)cc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C25H16ClFN4O2/c26-14-8-6-13(7-9-14)22-20(19-17-12-15(27)10-11-18(17)28-24(19)32)21-23(29-22)30-31(25(21)33)16-4-2-1-3-5-16/h1-12,19,29-30H,(H,28,32)
InChIKeyHPWHZYRTNFYVCC-UHFFFAOYSA-N
XLogP5.19
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.88
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-1,3-dihydroindol-2-one
CID 132533036
6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047648
1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751409
methyl 4-[(3R)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 39351546
5-fluoro-3-(2-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 67269394
6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047605
5-chloro-2-(4-fluorophenyl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 17355008
4-amino-2-(4-fluorophenyl)-5-phenyl-1H-pyrazol-3-one
CID 103994916
5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 3162805
4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 3109320
3-bromo-5-fluoro-1,3-dihydroindol-2-one
CID 102193435
3-(3-chloro-4-fluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43119152

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one (CID 132533038) is 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1c1c(-c2ccc(Cl)cc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is HPWHZYRTNFYVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClFN4O2/c26-14-8-6-13(7-9-14)22-20(19-17-12-15(27)10-11-18(17)28-24(19)32)21-23(29-22)30-31(25(21)33)16-4-2-1-3-5-16/h1-12,19,29-30H,(H,28,32).
What are the key properties of 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one?
3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 458.88 g/mol, XLogP of 5.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 132533038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).