4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one

C23H22ClFN6O — CID 91826361

IUPAC4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(C(C)C)c2c1C(c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C23H22ClFN6O/c1-11(2)31-21-19(13(4)28-31)20(17-7-6-15(24)9-18(17)25)30(23(21)32)16-8-12(3)22-27-26-14(5)29(22)10-16/h6-11,20H,1-5H3
InChIKeyGKJNYZBASPYBEP-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.97
Rot. Bonds3

About 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 91826361) has the molecular formula C23H22ClFN6O and a molecular weight of 452.92 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID91826361
Molecular FormulaC23H22ClFN6O
Molecular Weight452.92 g/mol
Exact Mass452.15
IUPAC Name4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(C(C)C)c2c1C(c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C23H22ClFN6O/c1-11(2)31-21-19(13(4)28-31)20(17-7-6-15(24)9-18(17)25)30(23(21)32)16-8-12(3)22-27-26-14(5)29(22)10-16/h6-11,20H,1-5H3
InChIKeyGKJNYZBASPYBEP-UHFFFAOYSA-N
XLogP4.97
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-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

Related Compounds

4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-ethyl-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826378
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-(1-methylazetidin-3-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826356
ethyl 3-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-6-oxo-4H-pyrrolo[3,4-d]pyrazol-1-yl]azetidine-1-carboxylate
CID 91826355
(6R)-6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-6H-pyrrolo[2,3-c]pyrrol-4-one
CID 122553470
6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-methyl-3-(1-methylazetidin-3-yl)-6H-pyrrolo[2,3-c]pyrrol-4-one
CID 122553393
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(1,3-oxazol-2-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567365
6-(4-chlorophenyl)-3-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 121268849
(4R)-4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567782
4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-2,4-dihydro-1H-pyrrolo[3,4-d]imidazol-6-one
CID 142799903
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567305
6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxy-3-pyridinyl)-1,6-dihydropyrrolo[3,4-b]pyrrol-4-one
CID 122553429
1-(azetidin-3-yl)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826339

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 91826361) is 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(C(C)C)c2c1C(c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is GKJNYZBASPYBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6O/c1-11(2)31-21-19(13(4)28-31)20(17-7-6-15(24)9-18(17)25)30(23(21)32)16-8-12(3)22-27-26-14(5)29(22)10-16/h6-11,20H,1-5H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 452.92 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-1-propan-2-yl-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 91826361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).