5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

C31H27Cl2FN4O — CID 71585683

IUPAC5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1cc(Cl)ccc1C1c2c(nn(CCc3c[nH]c4ccccc34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
InChIInChI=1S/C31H27Cl2FN4O/c1-17(2)29-26-28(36-37(29)14-13-19-16-35-24-9-5-4-7-22(19)24)31(39)38(25-10-6-8-23(33)27(25)34)30(26)21-12-11-20(32)15-18(21)3/h4-12,15-17,30,35H,13-14H2,1-3H3
InChIKeyGAIFQWCUGUSUIE-UHFFFAOYSA-N
MW561.49 g/mol
LogP8.23
Rot. Bonds6

About 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 71585683) has the molecular formula C31H27Cl2FN4O and a molecular weight of 561.49 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID71585683
Molecular FormulaC31H27Cl2FN4O
Molecular Weight561.49 g/mol
Exact Mass560.15
IUPAC Name5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1cc(Cl)ccc1C1c2c(nn(CCc3c[nH]c4ccccc34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F
InChIInChI=1S/C31H27Cl2FN4O/c1-17(2)29-26-28(36-37(29)14-13-19-16-35-24-9-5-4-7-22(19)24)31(39)38(25-10-6-8-23(33)27(25)34)30(26)21-12-11-20(32)15-18(21)3/h4-12,15-17,30,35H,13-14H2,1-3H3
InChIKeyGAIFQWCUGUSUIE-UHFFFAOYSA-N
XLogP8.23
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.49
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one with MolForge

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Related Compounds

4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 164613342
5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(pyridin-2-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71585475
1-(3-chlorophenyl)-2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16189146
5-(2-chlorophenyl)-1-(3-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]pyrazole-3-carboxamide
CID 44534591
1-(4-chlorobenzyl)-N'-(1H-indol-3-ylmethylene)-1H-pyrazole-3-carbohydrazide
CID 135411603
(2S)-2-Amino-3-(6-chloro-1H-indol-3-yl)-1-(5-((5-chloro-1H-indol-3-yl)methyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)propan-1-one
CID 145963740
N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933287
N-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933289
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CID 67974590
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-6-methylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 71009632
5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-2-(pyridin-3-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71585476
5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71585577

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 71585683) is 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is Cc1cc(Cl)ccc1C1c2c(nn(CCc3c[nH]c4ccccc34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is GAIFQWCUGUSUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl2FN4O/c1-17(2)29-26-28(36-37(29)14-13-19-16-35-24-9-5-4-7-22(19)24)31(39)38(25-10-6-8-23(33)27(25)34)30(26)21-12-11-20(32)15-18(21)3/h4-12,15-17,30,35H,13-14H2,1-3H3.
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 561.49 g/mol, XLogP of 8.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-methylphenyl)-2-[2-(1H-indol-3-yl)ethyl]-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 71585683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).