2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide

C23H24F3N3OS — CID 174224151

IUPAC2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide
SMILESNC(=O)C1(c2ccc(-c3n[nH]c4cc(C(F)(F)F)ccc34)cc2)CCCCCCCS1
InChIInChI=1S/C23H24F3N3OS/c24-23(25,26)17-10-11-18-19(14-17)28-29-20(18)15-6-8-16(9-7-15)22(21(27)30)12-4-2-1-3-5-13-31-22/h6-11,14H,1-5,12-13H2,(H2,27,30)(H,28,29)
InChIKeyWZECXCCODUDNPA-UHFFFAOYSA-N
MW447.53 g/mol
LogP6.02
Rot. Bonds3

About 2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide

2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide (PubChem CID 174224151) has the molecular formula C23H24F3N3OS and a molecular weight of 447.53 g/mol. Its IUPAC name is 2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide.

Molecular Properties

Compound Name2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide
PubChem CID174224151
Molecular FormulaC23H24F3N3OS
Molecular Weight447.53 g/mol
Exact Mass447.16
IUPAC Name2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide
SMILESNC(=O)C1(c2ccc(-c3n[nH]c4cc(C(F)(F)F)ccc34)cc2)CCCCCCCS1
InChIInChI=1S/C23H24F3N3OS/c24-23(25,26)17-10-11-18-19(14-17)28-29-20(18)15-6-8-16(9-7-15)22(21(27)30)12-4-2-1-3-5-13-31-22/h6-11,14H,1-5,12-13H2,(H2,27,30)(H,28,29)
InChIKeyWZECXCCODUDNPA-UHFFFAOYSA-N
XLogP6.02
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide
CID 162773616
3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218370
3-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-6-amine
CID 10215490
2-(methylamino)-1-[6-(trifluoromethyl)-1H-indazol-3-yl]ethanone
CID 84709123
4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one
CID 174267749
4-(1-fluorocyclopropyl)-6-(trifluoromethyl)-2H-phthalazin-1-one
CID 162364234
1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole
CID 58624632
2-(2-oxoazepan-1-yl)-N-[6-(trifluoromethyl)-1H-indazol-3-yl]acetamide
CID 162631038
N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
CID 162634789
2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
CID 71192936
3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
CID 39219281
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 118721263

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide?
The IUPAC name of 2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide (CID 174224151) is 2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide.
What is the SMILES notation for 2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide?
The canonical SMILES for 2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide is NC(=O)C1(c2ccc(-c3n[nH]c4cc(C(F)(F)F)ccc34)cc2)CCCCCCCS1.
What is the InChIKey of 2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide?
The InChIKey is WZECXCCODUDNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3OS/c24-23(25,26)17-10-11-18-19(14-17)28-29-20(18)15-6-8-16(9-7-15)22(21(27)30)12-4-2-1-3-5-13-31-22/h6-11,14H,1-5,12-13H2,(H2,27,30)(H,28,29).
What are the key properties of 2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide?
2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide has a molecular weight of 447.53 g/mol, XLogP of 6.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(trifluoromethyl)-1H-indazol-3-yl]phenyl]thionane-2-carboxamide is sourced from PubChem (CID 174224151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).