3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C25H24N4O5 — CID 58365765

IUPAC3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(CO)CO)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C25H24N4O5/c1-25(13-30,14-31)23-20-21(26-27-23)24(32)29(22(20)17-5-3-4-6-19(17)33-2)16-9-7-15(8-10-16)18-11-12-34-28-18/h3-12,22,30-31H,13-14H2,1-2H3,(H,26,27)
InChIKeyJUOGKKFFOPMFTH-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.07
Rot. Bonds7

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

3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365765) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365765
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(CO)CO)C(=O)N1c1ccc(-c2ccon2)cc1
InChIInChI=1S/C25H24N4O5/c1-25(13-30,14-31)23-20-21(26-27-23)24(32)29(22(20)17-5-3-4-6-19(17)33-2)16-9-7-15(8-10-16)18-11-12-34-28-18/h3-12,22,30-31H,13-14H2,1-2H3,(H,26,27)
InChIKeyJUOGKKFFOPMFTH-UHFFFAOYSA-N
XLogP3.07
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-[4-(2-methoxyphenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 3826960
3-tert-butyl-4-cyclohexyl-5-(4-isoxazol-3-ylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
CID 24970326
3-Tert-butyl-5-[4-(1,2-oxazol-3-yl)phenyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58044908
3-(2-Hydroxyethyl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58044953
3-Butyl-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58044957
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045022
3-Tert-butyl-4-(3-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045031
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045045
4-(2-Methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-3-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 58045088
3-Tert-butyl-4-(2-chlorophenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045118
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045132
3-Tert-butyl-4-(4-chlorophenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045175

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365765) is 3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1C1c2c(n[nH]c2C(C)(CO)CO)C(=O)N1c1ccc(-c2ccon2)cc1.
What is the InChIKey of 3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is JUOGKKFFOPMFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-25(13-30,14-31)23-20-21(26-27-23)24(32)29(22(20)17-5-3-4-6-19(17)33-2)16-9-7-15(8-10-16)18-11-12-34-28-18/h3-12,22,30-31H,13-14H2,1-2H3,(H,26,27).
What are the key properties of 3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 460.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).