2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide

C19H20F3N3O3S — CID 25015090

IUPAC2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1[C@@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3CCOC4)cc2C1
InChIInChI=1S/C19H20F3N3O3S/c20-19(21,22)18-16-11-28-6-4-17(16)25(23-18)14-3-2-12-8-15(10-13(12)9-14)24-5-1-7-29(24,26)27/h2-3,9,15H,1,4-8,10-11H2/t15-/m1/s1
InChIKeyZFPVXYYRQCYJTE-OAHLLOKOSA-N
MW427.45 g/mol
LogP2.47
Rot. Bonds2

About 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide

2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 25015090) has the molecular formula C19H20F3N3O3S and a molecular weight of 427.45 g/mol. Its IUPAC name is 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide
PubChem CID25015090
Molecular FormulaC19H20F3N3O3S
Molecular Weight427.45 g/mol
Exact Mass427.12
IUPAC Name2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1[C@@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3CCOC4)cc2C1
InChIInChI=1S/C19H20F3N3O3S/c20-19(21,22)18-16-11-28-6-4-17(16)25(23-18)14-3-2-12-8-15(10-13(12)9-14)24-5-1-7-29(24,26)27/h2-3,9,15H,1,4-8,10-11H2/t15-/m1/s1
InChIKeyZFPVXYYRQCYJTE-OAHLLOKOSA-N
XLogP2.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide with MolForge

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Related Compounds

2-[5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide
CID 25015088
1-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one
CID 25014502
1-[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]ethanone
CID 59351123
[2-fluoro-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 24953376
2-[[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 24953725
N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 25014498
N-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]methanesulfonamide
CID 24952671
1-[[3-fluoro-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]phenyl]methyl]pyrrolidin-2-one
CID 24953017
1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one
CID 25014668
1-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 61470330
(3,3-difluoroazetidin-1-yl)-[4-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]phenyl]methanone
CID 24952670
1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one
CID 24952307

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide (CID 25015090) is 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1[C@@H]1Cc2ccc(-n3nc(C(F)(F)F)c4c3CCOC4)cc2C1.
What is the InChIKey of 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is ZFPVXYYRQCYJTE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20F3N3O3S/c20-19(21,22)18-16-11-28-6-4-17(16)25(23-18)14-3-2-12-8-15(10-13(12)9-14)24-5-1-7-29(24,26)27/h2-3,9,15H,1,4-8,10-11H2/t15-/m1/s1.
What are the key properties of 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide?
2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 427.45 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 25015090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).