4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one

C22H18ClF3N4O2 — CID 86294690

IUPAC4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1cc(N2C(=O)c3c(c(C(F)(F)F)nn3C3CC3)C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C22H18ClF3N4O2/c1-11-9-15(10-28(2)20(11)31)29-17(12-3-5-13(23)6-4-12)16-18(21(29)32)30(14-7-8-14)27-19(16)22(24,25)26/h3-6,9-10,14,17H,7-8H2,1-2H3
InChIKeySTSKCRDOTKSTPF-UHFFFAOYSA-N
MW462.86 g/mol
LogP4.65
Rot. Bonds3

About 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 86294690) has the molecular formula C22H18ClF3N4O2 and a molecular weight of 462.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID86294690
Molecular FormulaC22H18ClF3N4O2
Molecular Weight462.86 g/mol
Exact Mass462.11
IUPAC Name4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1cc(N2C(=O)c3c(c(C(F)(F)F)nn3C3CC3)C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C22H18ClF3N4O2/c1-11-9-15(10-28(2)20(11)31)29-17(12-3-5-13(23)6-4-12)16-18(21(29)32)30(14-7-8-14)27-19(16)22(24,25)26/h3-6,9-10,14,17H,7-8H2,1-2H3
InChIKeySTSKCRDOTKSTPF-UHFFFAOYSA-N
XLogP4.65
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-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 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 86294690) is 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1cc(N2C(=O)c3c(c(C(F)(F)F)nn3C3CC3)C2c2ccc(Cl)cc2)cn(C)c1=O.
What is the InChIKey of 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is STSKCRDOTKSTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O2/c1-11-9-15(10-28(2)20(11)31)29-17(12-3-5-13(23)6-4-12)16-18(21(29)32)30(14-7-8-14)27-19(16)22(24,25)26/h3-6,9-10,14,17H,7-8H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 462.86 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 86294690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).