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

C25H17ClN4O2 — CID 132533036

IUPAC3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1c1c(-c2ccc(Cl)cc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C25H17ClN4O2/c26-15-12-10-14(11-13-15)22-20(19-17-8-4-5-9-18(17)27-24(19)31)21-23(28-22)29-30(25(21)32)16-6-2-1-3-7-16/h1-13,19,28-29H,(H,27,31)
InChIKeyZZZDDYPCSDTQQR-UHFFFAOYSA-N
MW440.89 g/mol
LogP5.05
Rot. Bonds3

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

3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 132533036) has the molecular formula C25H17ClN4O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-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]-1,3-dihydroindol-2-one
PubChem CID132533036
Molecular FormulaC25H17ClN4O2
Molecular Weight440.89 g/mol
Exact Mass440.10
IUPAC Name3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1c1c(-c2ccc(Cl)cc2)[nH]c2[nH]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C25H17ClN4O2/c26-15-12-10-14(11-13-15)22-20(19-17-8-4-5-9-18(17)27-24(19)31)21-23(28-22)29-30(25(21)32)16-6-2-1-3-7-16/h1-13,19,28-29H,(H,27,31)
InChIKeyZZZDDYPCSDTQQR-UHFFFAOYSA-N
XLogP5.05
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 55.05
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]-5-fluoro-1,3-dihydroindol-2-one
CID 132533038
1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-6-(4-phenylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047647
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
6-(4-fluorophenyl)-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047648
6-(4-methylphenyl)-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047605
6-(4-bromophenyl)-1-methyl-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 98251388
6-(4-bromophenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047619
5,6-dimethyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 3162805
6-(2-chlorophenyl)-1-methyl-5-[(3S)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 98251452
6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047627
4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 3109320
2-methoxyethyl 2-methyl-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenyl-1H-pyrrole-3-carboxylate
CID 101469284

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]-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]-1,3-dihydroindol-2-one (CID 132533036) is 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-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]-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]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1c1c(-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]-1,3-dihydroindol-2-one?
The InChIKey is ZZZDDYPCSDTQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O2/c26-15-12-10-14(11-13-15)22-20(19-17-8-4-5-9-18(17)27-24(19)31)21-23(28-22)29-30(25(21)32)16-6-2-1-3-7-16/h1-13,19,28-29H,(H,27,31).
What are the key properties of 3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-1,3-dihydroindol-2-one?
3-[5-(4-chlorophenyl)-3-oxo-2-phenyl-1,6-dihydropyrrolo[2,3-c]pyrazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 440.89 g/mol, XLogP of 5.05, 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]-1,3-dihydroindol-2-one is sourced from PubChem (CID 132533036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).