5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one

C24H21F3N6O — CID 155576689

IUPAC5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one
SMILESCc1nn(C)c2c1C(=O)N(c1ccc3nc[nH]c3c1)C2c1ccc(N2CCC(F)(F)C2)cc1F
InChIInChI=1S/C24H21F3N6O/c1-13-20-22(31(2)30-13)21(33(23(20)34)15-4-6-18-19(10-15)29-12-28-18)16-5-3-14(9-17(16)25)32-8-7-24(26,27)11-32/h3-6,9-10,12,21H,7-8,11H2,1-2H3,(H,28,29)
InChIKeyGWJSWIPZOQKBOH-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.34
Rot. Bonds3

About 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one

5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one (PubChem CID 155576689) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one
PubChem CID155576689
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one
SMILESCc1nn(C)c2c1C(=O)N(c1ccc3nc[nH]c3c1)C2c1ccc(N2CCC(F)(F)C2)cc1F
InChIInChI=1S/C24H21F3N6O/c1-13-20-22(31(2)30-13)21(33(23(20)34)15-4-6-18-19(10-15)29-12-28-18)16-5-3-14(9-17(16)25)32-8-7-24(26,27)11-32/h3-6,9-10,12,21H,7-8,11H2,1-2H3,(H,28,29)
InChIKeyGWJSWIPZOQKBOH-UHFFFAOYSA-N
XLogP4.34
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one (CID 155576689) is 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one is Cc1nn(C)c2c1C(=O)N(c1ccc3nc[nH]c3c1)C2c1ccc(N2CCC(F)(F)C2)cc1F.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one?
The InChIKey is GWJSWIPZOQKBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-13-20-22(31(2)30-13)21(33(23(20)34)15-4-6-18-19(10-15)29-12-28-18)16-5-3-14(9-17(16)25)32-8-7-24(26,27)11-32/h3-6,9-10,12,21H,7-8,11H2,1-2H3,(H,28,29).
What are the key properties of 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one?
5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one has a molecular weight of 466.47 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-6-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrazol-4-one is sourced from PubChem (CID 155576689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).