9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane

C19H19F3N6O — CID 139358062

IUPAC9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCCC5(CCOC5)C4)n3)cnc2cn1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)14-10-28-13(8-25-16(28)9-24-14)17-23-5-2-15(26-17)27-6-1-3-18(11-27)4-7-29-12-18/h2,5,8-10H,1,3-4,6-7,11-12H2
InChIKeyNBPNWCUHWIKPLL-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.21
Rot. Bonds2

About 9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane

9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane (PubChem CID 139358062) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane
PubChem CID139358062
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCCC5(CCOC5)C4)n3)cnc2cn1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)14-10-28-13(8-25-16(28)9-24-14)17-23-5-2-15(26-17)27-6-1-3-18(11-27)4-7-29-12-18/h2,5,8-10H,1,3-4,6-7,11-12H2
InChIKeyNBPNWCUHWIKPLL-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

Methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate
CID 139343358
3-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-1-ol
CID 139343579
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
[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-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357999
3-[4-[3-(Oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358037
3-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 139358039
2-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine
CID 139358057
3-[4-[3-(Methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358063

Frequently Asked Questions

What is the IUPAC name of 9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane (CID 139358062) is 9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane is FC(F)(F)c1cn2c(-c3nccc(N4CCCC5(CCOC5)C4)n3)cnc2cn1.
What is the InChIKey of 9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane?
The InChIKey is NBPNWCUHWIKPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c20-19(21,22)14-10-28-13(8-25-16(28)9-24-14)17-23-5-2-15(26-17)27-6-1-3-18(11-27)4-7-29-12-18/h2,5,8-10H,1,3-4,6-7,11-12H2.
What are the key properties of 9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane?
9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-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 9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 139358062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).