4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole

C16H20F3N3O2S — CID 121326636

IUPAC4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
SMILESCC1(C)CC(c2cc(C(F)(F)F)cc3[nH]ncc23)CCN1S(C)(=O)=O
InChIInChI=1S/C16H20F3N3O2S/c1-15(2)8-10(4-5-22(15)25(3,23)24)12-6-11(16(17,18)19)7-14-13(12)9-20-21-14/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyULKSLXZRQSJDPP-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.50
Rot. Bonds2

About 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole

4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole (PubChem CID 121326636) has the molecular formula C16H20F3N3O2S and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
PubChem CID121326636
Molecular FormulaC16H20F3N3O2S
Molecular Weight375.42 g/mol
Exact Mass375.12
IUPAC Name4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
SMILESCC1(C)CC(c2cc(C(F)(F)F)cc3[nH]ncc23)CCN1S(C)(=O)=O
InChIInChI=1S/C16H20F3N3O2S/c1-15(2)8-10(4-5-22(15)25(3,23)24)12-6-11(16(17,18)19)7-14-13(12)9-20-21-14/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,21)
InChIKeyULKSLXZRQSJDPP-UHFFFAOYSA-N
XLogP3.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-6-(trifluoromethyl)-1H-indazole
CID 71735205
6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645461
4-phenyl-6-propan-2-yl-1H-indazole
CID 127047212
US11787780, Example 136
CID 167337320
6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645462
6-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1H-indazole
CID 126783080
N-(1H-indazol-6-ylmethyl)-1-[2-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 132310037
N-(7-methylbenzo[g]indazol-1-yl)-5-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide
CID 17780024
5-(difluoromethyl)-N-(7-methylbenzo[g]indazol-1-yl)cyclohexa-1,5-diene-1-sulfonamide
CID 17780114
2-methyl-N-(8-methylbenzo[g]indazol-1-yl)-5-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide
CID 17780184
2,2,2-trifluoro-N-[(3R)-3-(1H-indazol-5-yl)-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936713
2,2,2-trifluoro-N-[(3S)-3-(1H-indazol-5-yl)-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
CID 24936714

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole?
The IUPAC name of 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole (CID 121326636) is 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole is CC1(C)CC(c2cc(C(F)(F)F)cc3[nH]ncc23)CCN1S(C)(=O)=O.
What is the InChIKey of 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole?
The InChIKey is ULKSLXZRQSJDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2S/c1-15(2)8-10(4-5-22(15)25(3,23)24)12-6-11(16(17,18)19)7-14-13(12)9-20-21-14/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,21).
What are the key properties of 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole?
4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole has a molecular weight of 375.42 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 121326636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).