[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane

C24H27F2N3O3S — CID 144952207

IUPAC[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane
SMILESCC.CC(C)Oc1ccc(S(C)=O)cc1C(=O)N1Cc2cn(-c3ccc(F)c(F)c3)nc2C1
InChIInChI=1S/C22H21F2N3O3S.C2H6/c1-13(2)30-21-7-5-16(31(3)29)9-17(21)22(28)26-10-14-11-27(25-20(14)12-26)15-4-6-18(23)19(24)8-15;1-2/h4-9,11,13H,10,12H2,1-3H3;1-2H3
InChIKeySLJINQNCQVTGHU-UHFFFAOYSA-N
MW475.56 g/mol
LogP4.86
Rot. Bonds5

About [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane

[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane (PubChem CID 144952207) has the molecular formula C24H27F2N3O3S and a molecular weight of 475.56 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane
PubChem CID144952207
Molecular FormulaC24H27F2N3O3S
Molecular Weight475.56 g/mol
Exact Mass475.17
IUPAC Name[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane
SMILESCC.CC(C)Oc1ccc(S(C)=O)cc1C(=O)N1Cc2cn(-c3ccc(F)c(F)c3)nc2C1
InChIInChI=1S/C22H21F2N3O3S.C2H6/c1-13(2)30-21-7-5-16(31(3)29)9-17(21)22(28)26-10-14-11-27(25-20(14)12-26)15-4-6-18(23)19(24)8-15;1-2/h4-9,11,13H,10,12H2,1-3H3;1-2H3
InChIKeySLJINQNCQVTGHU-UHFFFAOYSA-N
XLogP4.86
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane?
The IUPAC name of [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane (CID 144952207) is [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane.
What is the SMILES notation for [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane?
The canonical SMILES for [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane is CC.CC(C)Oc1ccc(S(C)=O)cc1C(=O)N1Cc2cn(-c3ccc(F)c(F)c3)nc2C1.
What is the InChIKey of [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane?
The InChIKey is SLJINQNCQVTGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3S.C2H6/c1-13(2)30-21-7-5-16(31(3)29)9-17(21)22(28)26-10-14-11-27(25-20(14)12-26)15-4-6-18(23)19(24)8-15;1-2/h4-9,11,13H,10,12H2,1-3H3;1-2H3.
What are the key properties of [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane?
[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane has a molecular weight of 475.56 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(5-methylsulfinyl-2-propan-2-yloxyphenyl)methanone;ethane is sourced from PubChem (CID 144952207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).