(2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one

C19H18F3N3O — CID 118294037

IUPAC(2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1NCC[C@]12CC[C@H](c1cc(-c3ccc(C(F)(F)F)cc3)ccn1)N2
InChIInChI=1S/C19H18F3N3O/c20-19(21,22)14-3-1-12(2-4-14)13-6-9-23-16(11-13)15-5-7-18(25-15)8-10-24-17(18)26/h1-4,6,9,11,15,25H,5,7-8,10H2,(H,24,26)/t15-,18-/m1/s1
InChIKeyJHNUWVMVELKZEO-CRAIPNDOSA-N
MW361.37 g/mol
LogP3.45
Rot. Bonds2

About (2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one

(2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 118294037) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is (2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID118294037
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name(2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1NCC[C@]12CC[C@H](c1cc(-c3ccc(C(F)(F)F)cc3)ccn1)N2
InChIInChI=1S/C19H18F3N3O/c20-19(21,22)14-3-1-12(2-4-14)13-6-9-23-16(11-13)15-5-7-18(25-15)8-10-24-17(18)26/h1-4,6,9,11,15,25H,5,7-8,10H2,(H,24,26)/t15-,18-/m1/s1
InChIKeyJHNUWVMVELKZEO-CRAIPNDOSA-N
XLogP3.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
CID 118293993
(2S,5S)-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 118294030
(2S,5R)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one
CID 118293837
(2R,5S)-8,8-dimethyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293952
7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 123435041
2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 123269226
(2R,5S)-9-methyl-2-[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
CID 71621060
(2S,5S)-1-ethyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-7-one
CID 140682632
(2S,5R)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 118294093
(2S,8S)-2-[4-(5-ethoxy-2-fluorophenyl)-2-pyridinyl]-8-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 118300580
(2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293771
(2S,5S)-2-[5-methoxy-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 71621053

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of (2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one (CID 118294037) is (2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for (2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for (2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one is O=C1NCC[C@]12CC[C@H](c1cc(-c3ccc(C(F)(F)F)cc3)ccn1)N2.
What is the InChIKey of (2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is JHNUWVMVELKZEO-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H18F3N3O/c20-19(21,22)14-3-1-12(2-4-14)13-6-9-23-16(11-13)15-5-7-18(25-15)8-10-24-17(18)26/h1-4,6,9,11,15,25H,5,7-8,10H2,(H,24,26)/t15-,18-/m1/s1.
What are the key properties of (2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one?
(2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 361.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 118294037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).