4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one

C19H18ClN5O — CID 146763589

IUPAC4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILES[H]/N=c1\ccc(N2C(=O)c3nn(C)c(C)c3C2c2ccc(Cl)cc2)cn1C
InChIInChI=1S/C19H18ClN5O/c1-11-16-17(22-24(11)3)19(26)25(14-8-9-15(21)23(2)10-14)18(16)12-4-6-13(20)7-5-12/h4-10,18,21H,1-3H3/b21-15+
InChIKeyRPZVNRDTEIAOKX-RCCKNPSSSA-N
MW367.84 g/mol
LogP2.95
Rot. Bonds2

About 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one

4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 146763589) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID146763589
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILES[H]/N=c1\ccc(N2C(=O)c3nn(C)c(C)c3C2c2ccc(Cl)cc2)cn1C
InChIInChI=1S/C19H18ClN5O/c1-11-16-17(22-24(11)3)19(26)25(14-8-9-15(21)23(2)10-14)18(16)12-4-6-13(20)7-5-12/h4-10,18,21H,1-3H3/b21-15+
InChIKeyRPZVNRDTEIAOKX-RCCKNPSSSA-N
XLogP2.95
TPSA66.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]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

5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-1,3-dimethyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 86292000
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
4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 86294479
5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 155563628
3-[4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-6-oxo-4H-pyrrolo[3,4-d]pyrazol-1-yl]azetidine-1-carboxylic acid
CID 130234503
(4R)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxy-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826329
(4S)-4-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 1382121
4-(4-chlorophenyl)-5-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 4639162
(4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826360
3-tert-butyl-4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567571
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
6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 86343544

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 146763589) is 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one is [H]/N=c1\ccc(N2C(=O)c3nn(C)c(C)c3C2c2ccc(Cl)cc2)cn1C.
What is the InChIKey of 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is RPZVNRDTEIAOKX-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-11-16-17(22-24(11)3)19(26)25(14-8-9-15(21)23(2)10-14)18(16)12-4-6-13(20)7-5-12/h4-10,18,21H,1-3H3/b21-15+.
What are the key properties of 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 367.84 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(6-imino-1-methyl-3-pyridinyl)-2,3-dimethyl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 146763589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).