2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane

C19H19F3N6O — CID 139358405

IUPAC2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC5(CCOCC5)C4)n3)cnc2cn1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)14-11-28-13(9-25-16(28)10-24-14)17-23-5-1-15(26-17)27-6-2-18(12-27)3-7-29-8-4-18/h1,5,9-11H,2-4,6-8,12H2
InChIKeyIQEJWAVYQWROGR-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.21
Rot. Bonds2

About 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane

2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane (PubChem CID 139358405) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane
PubChem CID139358405
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCC5(CCOCC5)C4)n3)cnc2cn1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)14-11-28-13(9-25-16(28)10-24-14)17-23-5-1-15(26-17)27-6-2-18(12-27)3-7-29-8-4-18/h1,5,9-11H,2-4,6-8,12H2
InChIKeyIQEJWAVYQWROGR-UHFFFAOYSA-N
XLogP3.21
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propanal
CID 139343213
3-[4-(2,7-Diazaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343289
3-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-1-ol
CID 139343579
3-[4-(3,4-Dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139357602
2-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 139357702
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139357705
[3-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol
CID 139357710
[1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 139357712
3-[4-(6-Azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine
CID 139357720
6-(Difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357729
6-(Difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
CID 139357993
6-(Difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357999

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane (CID 139358405) is 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane is FC(F)(F)c1cn2c(-c3nccc(N4CCC5(CCOCC5)C4)n3)cnc2cn1.
What is the InChIKey of 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is IQEJWAVYQWROGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c20-19(21,22)14-11-28-13(9-25-16(28)10-24-14)17-23-5-1-15(26-17)27-6-2-18(12-27)3-7-29-8-4-18/h1,5,9-11H,2-4,6-8,12H2.
What are the key properties of 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane?
2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 404.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 139358405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).