4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C28H30N4O2S — CID 58365671

IUPAC4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1ccccc1OCCN(C)C)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C28H30N4O2S/c1-18(2)25-24-26(30-29-25)28(33)32(21-11-9-19(10-12-21)20-13-16-35-17-20)27(24)22-7-5-6-8-23(22)34-15-14-31(3)4/h5-13,16-18,27H,14-15H2,1-4H3,(H,29,30)
InChIKeyBLHVQYLBFKUZOV-UHFFFAOYSA-N
MW486.64 g/mol
LogP5.95
Rot. Bonds8

About 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365671) has the molecular formula C28H30N4O2S and a molecular weight of 486.64 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365671
Molecular FormulaC28H30N4O2S
Molecular Weight486.64 g/mol
Exact Mass486.21
IUPAC Name4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1ccccc1OCCN(C)C)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C28H30N4O2S/c1-18(2)25-24-26(30-29-25)28(33)32(21-11-9-19(10-12-21)20-13-16-35-17-20)27(24)22-7-5-6-8-23(22)34-15-14-31(3)4/h5-13,16-18,27H,14-15H2,1-4H3,(H,29,30)
InChIKeyBLHVQYLBFKUZOV-UHFFFAOYSA-N
XLogP5.95
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-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

Ethyl 4-[3-(4-ethoxyphenyl)-6-oxo-4-(thiophen-2-YL)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 16020119
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045072
3-Tert-butyl-4-(2-methoxyphenyl)-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365787
Ethyl 4-[6-oxo-3-phenyl-4-(thiophen-2-YL)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 16020088
[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 42362129
3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46942696
Ethyl 4-[4-(2,4-dimethoxyphenyl)-6-oxo-3-(thiophen-2-YL)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 15990917
Ethyl 4-[4-(4-ethoxyphenyl)-6-oxo-3-(thiophen-2-YL)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 15990923
Ethyl 4-[4-(3-methoxyphenyl)-6-oxo-3-(thiophen-2-YL)-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 16020175
5-(4-ethoxyphenyl)-4-(3-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 4916244
3-(1-hydroxymethyl-1-methylethyl)-4-(2-methoxyphenyl)-5-(4-thiophene-3-ylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazole-6-one
CID 58365251
4-[2-(1,3-Dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365253

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365671) is 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is CC(C)c1[nH]nc2c1C(c1ccccc1OCCN(C)C)N(c1ccc(-c3ccsc3)cc1)C2=O.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is BLHVQYLBFKUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2S/c1-18(2)25-24-26(30-29-25)28(33)32(21-11-9-19(10-12-21)20-13-16-35-17-20)27(24)22-7-5-6-8-23(22)34-15-14-31(3)4/h5-13,16-18,27H,14-15H2,1-4H3,(H,29,30).
What are the key properties of 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 486.64 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethoxy]phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).