(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

C16H21F3N4O2 — CID 97118355

IUPAC(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1=O
InChIInChI=1S/C16H21F3N4O2/c1-25-10-9-22-7-2-4-15(13(22)24)5-8-23(11-15)14-20-6-3-12(21-14)16(17,18)19/h3,6H,2,4-5,7-11H2,1H3/t15-/m1/s1
InChIKeyWBFQNBSGFWIEOU-OAHLLOKOSA-N
MW358.36 g/mol
LogP1.96
Rot. Bonds4

About (5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97118355) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is (5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97118355
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1=O
InChIInChI=1S/C16H21F3N4O2/c1-25-10-9-22-7-2-4-15(13(22)24)5-8-23(11-15)14-20-6-3-12(21-14)16(17,18)19/h3,6H,2,4-5,7-11H2,1H3/t15-/m1/s1
InChIKeyWBFQNBSGFWIEOU-OAHLLOKOSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399
2-(4-ethyl-5-methylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937971
(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97130596
2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907338
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72840019
(5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126852
2-(1H-indol-3-ylmethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 67979399
(5R)-2-(3,5-dichloro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97205529
(5S)-7-(2-methoxyethyl)-2-(8-methoxyquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97197201
(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97204731
(5R)-7-(2-methoxyethyl)-2-(4,7,8-trimethylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195240

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one (CID 97118355) is (5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1=O.
What is the InChIKey of (5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WBFQNBSGFWIEOU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-25-10-9-22-7-2-4-15(13(22)24)5-8-23(11-15)14-20-6-3-12(21-14)16(17,18)19/h3,6H,2,4-5,7-11H2,1H3/t15-/m1/s1.
What are the key properties of (5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97118355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).