2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one

C17H22F3N3O2 — CID 134135994

IUPAC2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3cncc([C@@](C)(O)C(F)(F)F)c3)CC2)CC1=O
InChIInChI=1S/C17H22F3N3O2/c1-15(25,17(18,19)20)12-7-13(10-21-9-12)23-5-3-16(4-6-23)8-14(24)22(2)11-16/h7,9-10,25H,3-6,8,11H2,1-2H3/t15-/m1/s1
InChIKeyQVBNRWOOFURQGI-OAHLLOKOSA-N
MW357.38 g/mol
LogP2.30
Rot. Bonds2

About 2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one

2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 134135994) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID134135994
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3cncc([C@@](C)(O)C(F)(F)F)c3)CC2)CC1=O
InChIInChI=1S/C17H22F3N3O2/c1-15(25,17(18,19)20)12-7-13(10-21-9-12)23-5-3-16(4-6-23)8-14(24)22(2)11-16/h7,9-10,25H,3-6,8,11H2,1-2H3/t15-/m1/s1
InChIKeyQVBNRWOOFURQGI-OAHLLOKOSA-N
XLogP2.30
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one (CID 134135994) is 2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(c3cncc([C@@](C)(O)C(F)(F)F)c3)CC2)CC1=O.
What is the InChIKey of 2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QVBNRWOOFURQGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-15(25,17(18,19)20)12-7-13(10-21-9-12)23-5-3-16(4-6-23)8-14(24)22(2)11-16/h7,9-10,25H,3-6,8,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 357.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 134135994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).