3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C25H19N5O4 — CID 58045102

IUPAC3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2C(c2cc(C)on2)N(c2ccc(-c4ccon4)cc2)C3=O)cc1
InChIInChI=1S/C25H19N5O4/c1-14-13-20(29-34-14)24-21-22(16-5-9-18(32-2)10-6-16)26-27-23(21)25(31)30(24)17-7-3-15(4-8-17)19-11-12-33-28-19/h3-13,24H,1-2H3,(H,26,27)
InChIKeyGHQFFSQCCOBXTN-UHFFFAOYSA-N
MW453.46 g/mol
LogP4.79
Rot. Bonds5

About 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 58045102) has the molecular formula C25H19N5O4 and a molecular weight of 453.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID58045102
Molecular FormulaC25H19N5O4
Molecular Weight453.46 g/mol
Exact Mass453.14
IUPAC Name3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(-c2n[nH]c3c2C(c2cc(C)on2)N(c2ccc(-c4ccon4)cc2)C3=O)cc1
InChIInChI=1S/C25H19N5O4/c1-14-13-20(29-34-14)24-21-22(16-5-9-18(32-2)10-6-16)26-27-23(21)25(31)30(24)17-7-3-15(4-8-17)19-11-12-33-28-19/h3-13,24H,1-2H3,(H,26,27)
InChIKeyGHQFFSQCCOBXTN-UHFFFAOYSA-N
XLogP4.79
TPSA110.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[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-fluorophenyl)-3,5-bis(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 58045326
(4S)-5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51467358
(4S)-4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 1409615
3-(furan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045247
4-(4-fluorophenyl)-5-(4-methoxyphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 56588810
(4S)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 7464452
(4R)-4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 40994923
(4S)-5-(4-bromophenyl)-4-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 51467342
4-(2,5-dimethoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 5345148
4-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 3729341
4-[4-(3-methoxyphenyl)-6-oxo-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoic acid
CID 11957226
(4S)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 40793729

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 58045102) is 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc(-c2n[nH]c3c2C(c2cc(C)on2)N(c2ccc(-c4ccon4)cc2)C3=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is GHQFFSQCCOBXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O4/c1-14-13-20(29-34-14)24-21-22(16-5-9-18(32-2)10-6-16)26-27-23(21)25(31)30(24)17-7-3-15(4-8-17)19-11-12-33-28-19/h3-13,24H,1-2H3,(H,26,27).
What are the key properties of 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 453.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(5-methyl-1,2-oxazol-3-yl)-5-[4-(1,2-oxazol-3-yl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 58045102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).