(4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C17H13BrN4O — CID 981407

IUPAC(4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1[C@H](c1cccnc1)N(c1ccc(Br)cc1)C2=O
InChIInChI=1S/C17H13BrN4O/c1-10-14-15(21-20-10)17(23)22(13-6-4-12(18)5-7-13)16(14)11-3-2-8-19-9-11/h2-9,16H,1H3,(H,20,21)/t16-/m0/s1
InChIKeyMOGWLTMWNQFJDI-INIZCTEOSA-N
MW369.22 g/mol
LogP3.63
Rot. Bonds2

About (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

(4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 981407) has the molecular formula C17H13BrN4O and a molecular weight of 369.22 g/mol. Its IUPAC name is (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID981407
Molecular FormulaC17H13BrN4O
Molecular Weight369.22 g/mol
Exact Mass368.03
IUPAC Name(4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1[C@H](c1cccnc1)N(c1ccc(Br)cc1)C2=O
InChIInChI=1S/C17H13BrN4O/c1-10-14-15(21-20-10)17(23)22(13-6-4-12(18)5-7-13)16(14)11-3-2-8-19-9-11/h2-9,16H,1H3,(H,20,21)/t16-/m0/s1
InChIKeyMOGWLTMWNQFJDI-INIZCTEOSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[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

(4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 41078778
(4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 1399579
5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 663322
5-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 73438724
ethyl 4-[(4S)-6-oxo-3-phenyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoate
CID 92700866
4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 3696568
(4R)-4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 936928
5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 155563628
(4S)-4-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 937617
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-phenyl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108629738
ethyl 4-[(4S)-4-(3-fluorophenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 1401085
ethyl 4-[(4R)-4-(3-fluorophenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 1401086

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 981407) is (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1[nH]nc2c1[C@H](c1cccnc1)N(c1ccc(Br)cc1)C2=O.
What is the InChIKey of (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is MOGWLTMWNQFJDI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H13BrN4O/c1-10-14-15(21-20-10)17(23)22(13-6-4-12(18)5-7-13)16(14)11-3-2-8-19-9-11/h2-9,16H,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
(4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 369.22 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 981407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).