(2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride

C20H21ClF3N3O — CID 118293993

IUPAC(2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
SMILESCl.O=C1NCCC[C@]12CC[C@@H](c1cc(-c3ccc(C(F)(F)F)cc3)ccn1)N2
InChIInChI=1S/C20H20F3N3O.ClH/c21-20(22,23)15-4-2-13(3-5-15)14-7-11-24-17(12-14)16-6-9-19(26-16)8-1-10-25-18(19)27;/h2-5,7,11-12,16,26H,1,6,8-10H2,(H,25,27);1H/t16-,19-;/m0./s1
InChIKeyMTGORHQTMAYARH-QSVLQNJRSA-N
MW411.86 g/mol
LogP4.26
Rot. Bonds2

About (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride

(2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride (PubChem CID 118293993) has the molecular formula C20H21ClF3N3O and a molecular weight of 411.86 g/mol. Its IUPAC name is (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride.

Molecular Properties

Compound Name(2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
PubChem CID118293993
Molecular FormulaC20H21ClF3N3O
Molecular Weight411.86 g/mol
Exact Mass411.13
IUPAC Name(2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
SMILESCl.O=C1NCCC[C@]12CC[C@@H](c1cc(-c3ccc(C(F)(F)F)cc3)ccn1)N2
InChIInChI=1S/C20H20F3N3O.ClH/c21-20(22,23)15-4-2-13(3-5-15)14-7-11-24-17(12-14)16-6-9-19(26-16)8-1-10-25-18(19)27;/h2-5,7,11-12,16,26H,1,6,8-10H2,(H,25,27);1H/t16-,19-;/m0./s1
InChIKeyMTGORHQTMAYARH-QSVLQNJRSA-N
XLogP4.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.86
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5R)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 118294037
(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
(2S,5S)-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 118294030
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
(2R,5S)-2-[4-(4-fluorophenyl)-2-pyridinyl]-1-oxa-9-azaspiro[4.5]decan-10-one
CID 121257750
(2S,5S)-1-ethyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,8-diazaspiro[4.5]decan-7-one
CID 140682632
(2S,5S)-2-[4-(5-ethoxy-2-fluorophenyl)pyrimidin-2-yl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride
CID 72548576
(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

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride?
The IUPAC name of (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride (CID 118293993) is (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride.
What is the SMILES notation for (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride?
The canonical SMILES for (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride is Cl.O=C1NCCC[C@]12CC[C@@H](c1cc(-c3ccc(C(F)(F)F)cc3)ccn1)N2.
What is the InChIKey of (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride?
The InChIKey is MTGORHQTMAYARH-QSVLQNJRSA-N. The full InChI is InChI=1S/C20H20F3N3O.ClH/c21-20(22,23)15-4-2-13(3-5-15)14-7-11-24-17(12-14)16-6-9-19(26-16)8-1-10-25-18(19)27;/h2-5,7,11-12,16,26H,1,6,8-10H2,(H,25,27);1H/t16-,19-;/m0./s1.
What are the key properties of (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride?
(2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride has a molecular weight of 411.86 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,9-diazaspiro[4.5]decan-10-one;hydrochloride is sourced from PubChem (CID 118293993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).