2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol

C28H32F3N5O2 — CID 150702084

IUPAC2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol
SMILESCN(c1ccc2c(-c3c(O)cc(-c4cn[nH]c4)cc3OC(F)(F)F)c[nH]c2c1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H32F3N5O2/c1-26(2)11-19(12-27(3,4)35-26)36(5)18-6-7-20-21(15-32-22(20)10-18)25-23(37)8-16(17-13-33-34-14-17)9-24(25)38-28(29,30)31/h6-10,13-15,19,32,35,37H,11-12H2,1-5H3,(H,33,34)
InChIKeyJMCHLRSDYQNPKO-UHFFFAOYSA-N
MW527.59 g/mol
LogP6.57
Rot. Bonds5

About 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol

2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol (PubChem CID 150702084) has the molecular formula C28H32F3N5O2 and a molecular weight of 527.59 g/mol. Its IUPAC name is 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol
PubChem CID150702084
Molecular FormulaC28H32F3N5O2
Molecular Weight527.59 g/mol
Exact Mass527.25
IUPAC Name2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol
SMILESCN(c1ccc2c(-c3c(O)cc(-c4cn[nH]c4)cc3OC(F)(F)F)c[nH]c2c1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H32F3N5O2/c1-26(2)11-19(12-27(3,4)35-26)36(5)18-6-7-20-21(15-32-22(20)10-18)25-23(37)8-16(17-13-33-34-14-17)9-24(25)38-28(29,30)31/h6-10,13-15,19,32,35,37H,11-12H2,1-5H3,(H,33,34)
InChIKeyJMCHLRSDYQNPKO-UHFFFAOYSA-N
XLogP6.57
TPSA89.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 56.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136611482
2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 150471037
2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]imidazo[2,1-b][1,3]thiazol-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162433231
5-(1H-pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)-(3,3,3-trifluoropropyl)amino]pyridazin-3-yl]phenol
CID 137464849
5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 142747413
5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 167524453
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
CID 155287326
2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154598908
6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 86710667
5-[3-hydroxy-4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenyl]-1H-pyridin-2-one
CID 136633798
5-[2,5-dichloro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazin-2-amine
CID 139535579
3-fluoro-5-(1H-pyrazol-4-yl)-2-[6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]phenol
CID 170262950

Frequently Asked Questions

What is the IUPAC name of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol?
The IUPAC name of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol (CID 150702084) is 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol?
The canonical SMILES for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol is CN(c1ccc2c(-c3c(O)cc(-c4cn[nH]c4)cc3OC(F)(F)F)c[nH]c2c1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol?
The InChIKey is JMCHLRSDYQNPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O2/c1-26(2)11-19(12-27(3,4)35-26)36(5)18-6-7-20-21(15-32-22(20)10-18)25-23(37)8-16(17-13-33-34-14-17)9-24(25)38-28(29,30)31/h6-10,13-15,19,32,35,37H,11-12H2,1-5H3,(H,33,34).
What are the key properties of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol?
2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol has a molecular weight of 527.59 g/mol, XLogP of 6.57, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-indol-3-yl]-5-(1H-pyrazol-4-yl)-3-(trifluoromethoxy)phenol is sourced from PubChem (CID 150702084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).