(5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C20H18F5N3O — CID 123918602

IUPAC(5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(C1NNc2cc(F)c(F)cc21)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F5N3O/c21-15-9-13-17(10-16(15)22)26-27-18(13)19(29)28-7-5-11(6-8-28)12-3-1-2-4-14(12)20(23,24)25/h1-4,9-11,18,26-27H,5-8H2
InChIKeyIIGYBAHQYIOGRY-UHFFFAOYSA-N
MW411.37 g/mol
LogP4.36
Rot. Bonds2

About (5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 123918602) has the molecular formula C20H18F5N3O and a molecular weight of 411.37 g/mol. Its IUPAC name is (5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID123918602
Molecular FormulaC20H18F5N3O
Molecular Weight411.37 g/mol
Exact Mass411.14
IUPAC Name(5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(C1NNc2cc(F)c(F)cc21)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F5N3O/c21-15-9-13-17(10-16(15)22)26-27-18(13)19(29)28-7-5-11(6-8-28)12-3-1-2-4-14(12)20(23,24)25/h1-4,9-11,18,26-27H,5-8H2
InChIKeyIIGYBAHQYIOGRY-UHFFFAOYSA-N
XLogP4.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 158400377
2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide
CID 146089966
2,3-dihydro-1H-triazol-2-ium-4-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 163928926
(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110883937
2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 159142820
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456369
2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid
CID 25138295
1-[3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 146145502
piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455
(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872336
N-[2-(cyclopropylsulfonylcarbamoyl)phenyl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 118722888
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 123918602) is (5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(C1NNc2cc(F)c(F)cc21)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is IIGYBAHQYIOGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5N3O/c21-15-9-13-17(10-16(15)22)26-27-18(13)19(29)28-7-5-11(6-8-28)12-3-1-2-4-14(12)20(23,24)25/h1-4,9-11,18,26-27H,5-8H2.
What are the key properties of (5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 411.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-2,3-dihydro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 123918602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).