(4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C24H24FN3O3 — CID 135950928

IUPAC(4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(C[C@@H]2CCCO2)C3=O)c(O)c1
InChIInChI=1S/C24H24FN3O3/c1-13-10-14(2)19(18(29)11-13)21-20-22(27-26-21)24(30)28(12-15-6-5-9-31-15)23(20)16-7-3-4-8-17(16)25/h3-4,7-8,10-11,15,23,29H,5-6,9,12H2,1-2H3,(H,26,27)/t15-,23-/m0/s1
InChIKeyYMJLIUVPRVSDTP-WNSKOXEYSA-N
MW421.47 g/mol
LogP4.26
Rot. Bonds4

About (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

(4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 135950928) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID135950928
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name(4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(C[C@@H]2CCCO2)C3=O)c(O)c1
InChIInChI=1S/C24H24FN3O3/c1-13-10-14(2)19(18(29)11-13)21-20-22(27-26-21)24(30)28(12-15-6-5-9-31-15)23(20)16-7-3-4-8-17(16)25/h3-4,7-8,10-11,15,23,29H,5-6,9,12H2,1-2H3,(H,26,27)/t15-,23-/m0/s1
InChIKeyYMJLIUVPRVSDTP-WNSKOXEYSA-N
XLogP4.26
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-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-(2-hydroxy-4,6-dimethylphenyl)-5-(oxolan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135785604
4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-methoxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135785989
3-(2-hydroxy-4,6-dimethylphenyl)-5-(oxolan-2-ylmethyl)-4-(3-propoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135786050
4-(3-ethoxy-4-phenylmethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(oxolan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135786226
3-(4-methylphenyl)-5-(oxolan-2-ylmethyl)-4-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856185
4-(4-bromophenyl)-3-(2-hydroxyphenyl)-5-(oxolan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135657032
4-(3-bromophenyl)-5-(oxolan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855650
4-(4-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135785588
4-(3-ethoxy-4-hydroxyphenyl)-5-(oxolan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855494
(5R)-5-(2-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2,3-dione
CID 1125721
4-(4-chlorophenyl)-5-(oxolan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855571
(4E)-5-(2-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 6050391

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 135950928) is (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(C[C@@H]2CCCO2)C3=O)c(O)c1.
What is the InChIKey of (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is YMJLIUVPRVSDTP-WNSKOXEYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-13-10-14(2)19(18(29)11-13)21-20-22(27-26-21)24(30)28(12-15-6-5-9-31-15)23(20)16-7-3-4-8-17(16)25/h3-4,7-8,10-11,15,23,29H,5-6,9,12H2,1-2H3,(H,26,27)/t15-,23-/m0/s1.
What are the key properties of (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
(4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 421.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluorophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 135950928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).