2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide

C22H23F3N4O2 — CID 118293997

IUPAC2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(-c2cc(C(F)(F)F)ccc2C(N)=O)cc([C@@H]2CC[C@@]3(CCN(C)C3=O)N2)n1
InChIInChI=1S/C22H23F3N4O2/c1-12-9-13(16-11-14(22(23,24)25)3-4-15(16)19(26)30)10-18(27-12)17-5-6-21(28-17)7-8-29(2)20(21)31/h3-4,9-11,17,28H,5-8H2,1-2H3,(H2,26,30)/t17-,21-/m0/s1
InChIKeyMSQRDYCFEKVXBI-UWJYYQICSA-N
MW432.45 g/mol
LogP3.20
Rot. Bonds3

About 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide

2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 118293997) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID118293997
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(-c2cc(C(F)(F)F)ccc2C(N)=O)cc([C@@H]2CC[C@@]3(CCN(C)C3=O)N2)n1
InChIInChI=1S/C22H23F3N4O2/c1-12-9-13(16-11-14(22(23,24)25)3-4-15(16)19(26)30)10-18(27-12)17-5-6-21(28-17)7-8-29(2)20(21)31/h3-4,9-11,17,28H,5-8H2,1-2H3,(H2,26,30)/t17-,21-/m0/s1
InChIKeyMSQRDYCFEKVXBI-UWJYYQICSA-N
XLogP3.20
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

(2R,5R)-2-[4-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293826
(2R,5S)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293817
(2R,5S)-2-[4-[2-(fluoromethoxy)phenyl]-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 121426750
7-methyl-2-[4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 123435041
(2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293927
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);(2R,5S)-7-methyl-2-[4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,7-diazaspiro[4.4]nonan-6-one
CID 160869233
(2S,5R)-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293865
(2S,5S)-2-[5-methoxy-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 71621053
(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
(2R,5S)-7-methyl-2-[3-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293969
(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
(2R,5S)-7-methyl-2-[5-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 162544756

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide (CID 118293997) is 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide is Cc1cc(-c2cc(C(F)(F)F)ccc2C(N)=O)cc([C@@H]2CC[C@@]3(CCN(C)C3=O)N2)n1.
What is the InChIKey of 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MSQRDYCFEKVXBI-UWJYYQICSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-12-9-13(16-11-14(22(23,24)25)3-4-15(16)19(26)30)10-18(27-12)17-5-6-21(28-17)7-8-29(2)20(21)31/h3-4,9-11,17,28H,5-8H2,1-2H3,(H2,26,30)/t17-,21-/m0/s1.
What are the key properties of 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide?
2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 432.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118293997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).