4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one

C25H24ClF3N6O3 — CID 86292968

IUPAC4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCCc1nn(CCOCC(F)(F)F)c2c1C(c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C25H24ClF3N6O3/c1-4-18-20-21(15-5-7-16(26)8-6-15)35(17-11-19(37-3)23-31-30-14(2)33(23)12-17)24(36)22(20)34(32-18)9-10-38-13-25(27,28)29/h5-8,11-12,21H,4,9-10,13H2,1-3H3
InChIKeyXNUKXIGJCJJBQX-UHFFFAOYSA-N
MW548.95 g/mol
LogP4.79
Rot. Bonds8

About 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 86292968) has the molecular formula C25H24ClF3N6O3 and a molecular weight of 548.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID86292968
Molecular FormulaC25H24ClF3N6O3
Molecular Weight548.95 g/mol
Exact Mass548.16
IUPAC Name4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCCc1nn(CCOCC(F)(F)F)c2c1C(c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C25H24ClF3N6O3/c1-4-18-20-21(15-5-7-16(26)8-6-15)35(17-11-19(37-3)23-31-30-14(2)33(23)12-17)24(36)22(20)34(32-18)9-10-38-13-25(27,28)29/h5-8,11-12,21H,4,9-10,13H2,1-3H3
InChIKeyXNUKXIGJCJJBQX-UHFFFAOYSA-N
XLogP4.79
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.95
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-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)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 86292968) is 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one is CCc1nn(CCOCC(F)(F)F)c2c1C(c1ccc(Cl)cc1)N(c1cc(OC)c3nnc(C)n3c1)C2=O.
What is the InChIKey of 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is XNUKXIGJCJJBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N6O3/c1-4-18-20-21(15-5-7-16(26)8-6-15)35(17-11-19(37-3)23-31-30-14(2)33(23)12-17)24(36)22(20)34(32-18)9-10-38-13-25(27,28)29/h5-8,11-12,21H,4,9-10,13H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 548.95 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-ethyl-5-(8-methoxy-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 86292968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).