[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone

C24H26FN3O4S — CID 118479313

IUPAC[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone
SMILESCC(C)Oc1ccc(S(=O)(=O)C(C)C)cc1C(=O)N1Cc2cn(-c3ccccc3F)nc2C1
InChIInChI=1S/C24H26FN3O4S/c1-15(2)32-23-10-9-18(33(30,31)16(3)4)11-19(23)24(29)27-12-17-13-28(26-21(17)14-27)22-8-6-5-7-20(22)25/h5-11,13,15-16H,12,14H2,1-4H3
InChIKeyNFYOCVGKTJLVIW-UHFFFAOYSA-N
MW471.55 g/mol
LogP4.14
Rot. Bonds6

About [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone

[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone (PubChem CID 118479313) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone
PubChem CID118479313
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Name[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone
SMILESCC(C)Oc1ccc(S(=O)(=O)C(C)C)cc1C(=O)N1Cc2cn(-c3ccccc3F)nc2C1
InChIInChI=1S/C24H26FN3O4S/c1-15(2)32-23-10-9-18(33(30,31)16(3)4)11-19(23)24(29)27-12-17-13-28(26-21(17)14-27)22-8-6-5-7-20(22)25/h5-11,13,15-16H,12,14H2,1-4H3
InChIKeyNFYOCVGKTJLVIW-UHFFFAOYSA-N
XLogP4.14
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone?
The IUPAC name of [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone (CID 118479313) is [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone?
The canonical SMILES for [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone is CC(C)Oc1ccc(S(=O)(=O)C(C)C)cc1C(=O)N1Cc2cn(-c3ccccc3F)nc2C1.
What is the InChIKey of [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone?
The InChIKey is NFYOCVGKTJLVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-15(2)32-23-10-9-18(33(30,31)16(3)4)11-19(23)24(29)27-12-17-13-28(26-21(17)14-27)22-8-6-5-7-20(22)25/h5-11,13,15-16H,12,14H2,1-4H3.
What are the key properties of [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone?
[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone has a molecular weight of 471.55 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(2-propan-2-yloxy-5-propan-2-ylsulfonylphenyl)methanone is sourced from PubChem (CID 118479313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).