3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C25H24N4OS — CID 58365603

IUPAC3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1
InChIInChI=1S/C25H24N4OS/c1-15-18(7-5-13-26-15)22-20-21(27-28-23(20)25(2,3)4)24(30)29(22)17-11-9-16(10-12-17)19-8-6-14-31-19/h5-14,22H,1-4H3,(H,27,28)
InChIKeyZVPBSAWVQXYSJT-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.89
Rot. Bonds3

About 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365603) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365603
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1
InChIInChI=1S/C25H24N4OS/c1-15-18(7-5-13-26-15)22-20-21(27-28-23(20)25(2,3)4)24(30)29(22)17-11-9-16(10-12-17)19-8-6-14-31-19/h5-14,22H,1-4H3,(H,27,28)
InChIKeyZVPBSAWVQXYSJT-UHFFFAOYSA-N
XLogP5.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-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

3-(5-ME-2-Thienyl)-N'-(1-(4-pyridinyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5393006
3-Methyl-5-(4-methylphenyl)-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 662284
N'-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-thien-2-yl-1H-pyrazole-5-carbohydrazide
CID 6862122
N'-{(E)-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}pyridine-4-carbohydrazide
CID 6900173
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199
N-ethyl-5-[2-pyridin-3-yl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 46889202
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889216
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide
CID 164617763
N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]acetamide
CID 58365242
N-methyl-2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzamide
CID 58365249
3-Tert-butyl-4-(1-oxidopyridin-1-ium-2-yl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365334
4-(2-Aminophenyl)-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365457

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365603) is 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1.
What is the InChIKey of 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is ZVPBSAWVQXYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-15-18(7-5-13-26-15)22-20-21(27-28-23(20)25(2,3)4)24(30)29(22)17-11-9-16(10-12-17)19-8-6-14-31-19/h5-14,22H,1-4H3,(H,27,28).
What are the key properties of 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 428.56 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(2-methyl-3-pyridinyl)-5-(4-thiophen-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).