3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol

C20H21F3N4O — CID 130335571

IUPAC3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol
SMILESOC1CCCC(Nc2cccc(Nc3cc(C(F)(F)F)cc4[nH]ncc34)c2)C1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)12-7-18(17-11-24-27-19(17)8-12)26-14-4-1-3-13(9-14)25-15-5-2-6-16(28)10-15/h1,3-4,7-9,11,15-16,25-26,28H,2,5-6,10H2,(H,24,27)
InChIKeyWNLMUGYPAQMYOZ-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.04
Rot. Bonds4

About 3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol

3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol (PubChem CID 130335571) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol
PubChem CID130335571
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol
SMILESOC1CCCC(Nc2cccc(Nc3cc(C(F)(F)F)cc4[nH]ncc34)c2)C1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)12-7-18(17-11-24-27-19(17)8-12)26-14-4-1-3-13(9-14)25-15-5-2-6-16(28)10-15/h1,3-4,7-9,11,15-16,25-26,28H,2,5-6,10H2,(H,24,27)
InChIKeyWNLMUGYPAQMYOZ-UHFFFAOYSA-N
XLogP5.04
TPSA72.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]anilino]cyclohexan-1-one
CID 130335545
N-cycloheptyl-1H-indazol-4-amine
CID 54865782
N-[3-(trifluoromethyl)cyclohexyl]-1H-indazol-5-amine
CID 64759996
N-cyclopropyl-1H-indazol-4-amine
CID 103439210
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-[4-(trifluoromethyl)phenyl]cyclopentyl]urea
CID 66551873
N-(3-methylcyclopentyl)-1H-indazol-4-amine
CID 64501114
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
trans-(1S,3S)-3-[[2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclopentan-1-ol
CID 67294213
N-(4-ethylcycloheptyl)-1H-indazol-4-amine
CID 65083545
N-(3-methylcyclohexyl)-1H-indazol-6-amine
CID 43743422
2-[6-[(3-hydroxycyclohexyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 155284560
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 57446055

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol?
The IUPAC name of 3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol (CID 130335571) is 3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol.
What is the SMILES notation for 3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol?
The canonical SMILES for 3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol is OC1CCCC(Nc2cccc(Nc3cc(C(F)(F)F)cc4[nH]ncc34)c2)C1.
What is the InChIKey of 3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol?
The InChIKey is WNLMUGYPAQMYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c21-20(22,23)12-7-18(17-11-24-27-19(17)8-12)26-14-4-1-3-13(9-14)25-15-5-2-6-16(28)10-15/h1,3-4,7-9,11,15-16,25-26,28H,2,5-6,10H2,(H,24,27).
What are the key properties of 3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol?
3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol has a molecular weight of 390.41 g/mol, XLogP of 5.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]anilino]cyclohexan-1-ol is sourced from PubChem (CID 130335571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).