[1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol

C29H30F3N3O — CID 68816287

IUPAC[1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol
SMILESCc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(N3CCCC(CO)C3)cc2)c(C)c1
InChIInChI=1S/C29H30F3N3O/c1-19-8-9-23(20(2)15-19)17-35-28(25-6-3-7-26(27(25)33-35)29(30,31)32)22-10-12-24(13-11-22)34-14-4-5-21(16-34)18-36/h3,6-13,15,21,36H,4-5,14,16-18H2,1-2H3
InChIKeyRHPQVWLGEZIQSZ-UHFFFAOYSA-N
MW493.57 g/mol
LogP6.60
Rot. Bonds5

About [1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol

[1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol (PubChem CID 68816287) has the molecular formula C29H30F3N3O and a molecular weight of 493.57 g/mol. Its IUPAC name is [1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol
PubChem CID68816287
Molecular FormulaC29H30F3N3O
Molecular Weight493.57 g/mol
Exact Mass493.23
IUPAC Name[1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol
SMILESCc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(N3CCCC(CO)C3)cc2)c(C)c1
InChIInChI=1S/C29H30F3N3O/c1-19-8-9-23(20(2)15-19)17-35-28(25-6-3-7-26(27(25)33-35)29(30,31)32)22-10-12-24(13-11-22)34-14-4-5-21(16-34)18-36/h3,6-13,15,21,36H,4-5,14,16-18H2,1-2H3
InChIKeyRHPQVWLGEZIQSZ-UHFFFAOYSA-N
XLogP6.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol
CID 67021027
ethyl 1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxylate
CID 11599068
3-[4-(4-methoxypiperidin-1-yl)phenyl]-2-[(2-methylphenyl)methyl]-7-(trifluoromethyl)indazole
CID 174544358
3-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenoxy]-N,N-dimethylaniline
CID 67023535
2-[(2,4-dimethylphenyl)methyl]-3-pyridin-2-yl-7-(trifluoromethyl)indazole
CID 67021265
3-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazole
CID 67021514
2-[(2,4-dimethylphenyl)methyl]-3-(3-phenylmethoxyphenyl)-7-(trifluoromethyl)indazole
CID 67021463
2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole
CID 67021408
[1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol
CID 67021036
3-(3-piperidin-1-ylphenyl)-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
CID 141159780
2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole
CID 67021311
3-(4-methoxy-2-methylphenyl)-2-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazole
CID 11647215

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol (CID 68816287) is [1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol is Cc1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(N3CCCC(CO)C3)cc2)c(C)c1.
What is the InChIKey of [1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol?
The InChIKey is RHPQVWLGEZIQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O/c1-19-8-9-23(20(2)15-19)17-35-28(25-6-3-7-26(27(25)33-35)29(30,31)32)22-10-12-24(13-11-22)34-14-4-5-21(16-34)18-36/h3,6-13,15,21,36H,4-5,14,16-18H2,1-2H3.
What are the key properties of [1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol?
[1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol has a molecular weight of 493.57 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 68816287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).