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

C27H24F5N3O — CID 67021036

IUPAC[1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C27H24F5N3O/c28-23-8-7-18(13-24(23)29)15-35-26(21-5-2-6-22(25(21)33-35)27(30,31)32)19-3-1-4-20(14-19)34-11-9-17(16-36)10-12-34/h1-8,13-14,17,36H,9-12,15-16H2
InChIKeyANWLKLUBAHKUBK-UHFFFAOYSA-N
MW501.50 g/mol
LogP6.26
Rot. Bonds5

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

[1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol (PubChem CID 67021036) has the molecular formula C27H24F5N3O and a molecular weight of 501.50 g/mol. Its IUPAC name is [1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol
PubChem CID67021036
Molecular FormulaC27H24F5N3O
Molecular Weight501.50 g/mol
Exact Mass501.18
IUPAC Name[1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C27H24F5N3O/c28-23-8-7-18(13-24(23)29)15-35-26(21-5-2-6-22(25(21)33-35)27(30,31)32)19-3-1-4-20(14-19)34-11-9-17(16-36)10-12-34/h1-8,13-14,17,36H,9-12,15-16H2
InChIKeyANWLKLUBAHKUBK-UHFFFAOYSA-N
XLogP6.26
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.50
LogP ≤ 56.26
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
3-(3-piperidin-1-ylphenyl)-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
CID 141159780
2-benzyl-3-(3,4-difluorophenyl)-7-(trifluoromethyl)indazole
CID 67021206
3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole
CID 68816519
2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole
CID 67021408
[1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-3-yl]methanol
CID 68816287
3-[4-(4-methoxypiperidin-1-yl)phenyl]-2-[(2-methylphenyl)methyl]-7-(trifluoromethyl)indazole
CID 174544358
3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline
CID 11690805
3-[2-[3-[7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazol-3-yl]phenyl]ethyl]benzoic acid
CID 87240444
3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[(2,4,6-trifluorophenyl)methyl]indazole
CID 87239273
[4-[[3-[2-[(4-chloro-2-fluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]methyl]phenyl]methanesulfinic acid
CID 174544380
ethyl 1-[4-[2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidine-4-carboxylate
CID 11599068

Frequently Asked Questions

What is the IUPAC name of [1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol (CID 67021036) is [1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol is OCC1CCN(c2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccc(F)c(F)c3)c2)CC1.
What is the InChIKey of [1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol?
The InChIKey is ANWLKLUBAHKUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F5N3O/c28-23-8-7-18(13-24(23)29)15-35-26(21-5-2-6-22(25(21)33-35)27(30,31)32)19-3-1-4-20(14-19)34-11-9-17(16-36)10-12-34/h1-8,13-14,17,36H,9-12,15-16H2.
What are the key properties of [1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol?
[1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol has a molecular weight of 501.50 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-[(3,4-difluorophenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 67021036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).