1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine

C117H124F18N38O6 — CID 158087049

IUPAC1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine
SMILESCC(C)(C)C1OCN2CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CC12.COCC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(C5CCOCC5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(C5COC5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(CN5CCOCC5)CC4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC5(CC4)COC5)n3)cnc2cn1
InChIInChI=1S/2C21H24F3N7O.C20H21F3N6O.C19H21F3N6O.2C18H17F3N6O/c1-20(2,3)18-14-10-29(6-7-30(14)12-32-18)16-4-5-25-19(28-16)13-8-27-17-9-26-15(11-31(13)17)21(22,23)24;22-21(23,24)17-14-31-16(11-27-19(31)12-26-17)20-25-4-1-18(28-20)30-5-2-15(3-6-30)13-29-7-9-32-10-8-29;21-20(22,23)16-12-29-15(9-26-18(29)10-25-16)19-24-5-1-17(27-19)28-6-2-14(11-28)13-3-7-30-8-4-13;1-29-12-13-4-2-3-7-27(10-13)16-5-6-23-18(26-16)14-8-25-17-9-24-15(11-28(14)17)19(20,21)22;19-18(20,21)13-9-27-12(7-24-15(27)8-23-13)16-22-4-1-14(25-16)26-5-2-17(3-6-26)10-28-11-17;19-18(20,21)14-8-27-13(5-24-16(27)6-23-14)17-22-3-1-15(25-17)26-4-2-11(7-26)12-9-28-10-12/h4-5,8-9,11,14,18H,6-7,10,12H2,1-3H3;1,4,11-12,14-15H,2-3,5-10,13H2;1,5,9-10,12-14H,2-4,6-8,11H2;5-6,8-9,11,13H,2-4,7,10,12H2,1H3;1,4,7-9H,2-3,5-6,10-11H2;1,3,5-6,8,11-12H,2,4,7,9-10H2
InChIKeyFNQGMMOPBDCNLN-UHFFFAOYSA-N
MW2500.50 g/mol
LogP18.27
Rot. Bonds18

About 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine

1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine (PubChem CID 158087049) has the molecular formula C117H124F18N38O6 and a molecular weight of 2500.50 g/mol. Its IUPAC name is 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine
PubChem CID158087049
Molecular FormulaC117H124F18N38O6
Molecular Weight2500.50 g/mol
Exact Mass2499.03
IUPAC Name1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine
SMILESCC(C)(C)C1OCN2CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CC12.COCC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(C5CCOCC5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(C5COC5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(CN5CCOCC5)CC4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC5(CC4)COC5)n3)cnc2cn1
InChIInChI=1S/2C21H24F3N7O.C20H21F3N6O.C19H21F3N6O.2C18H17F3N6O/c1-20(2,3)18-14-10-29(6-7-30(14)12-32-18)16-4-5-25-19(28-16)13-8-27-17-9-26-15(11-31(13)17)21(22,23)24;22-21(23,24)17-14-31-16(11-27-19(31)12-26-17)20-25-4-1-18(28-20)30-5-2-15(3-6-30)13-29-7-9-32-10-8-29;21-20(22,23)16-12-29-15(9-26-18(29)10-25-16)19-24-5-1-17(27-19)28-6-2-14(11-28)13-3-7-30-8-4-13;1-29-12-13-4-2-3-7-27(10-13)16-5-6-23-18(26-16)14-8-25-17-9-24-15(11-28(14)17)19(20,21)22;19-18(20,21)13-9-27-12(7-24-15(27)8-23-13)16-22-4-1-14(25-16)26-5-2-17(3-6-26)10-28-11-17;19-18(20,21)14-8-27-13(5-24-16(27)6-23-14)17-22-3-1-15(25-17)26-4-2-11(7-26)12-9-28-10-12/h4-5,8-9,11,14,18H,6-7,10,12H2,1-3H3;1,4,11-12,14-15H,2-3,5-10,13H2;1,5,9-10,12-14H,2-4,6-8,11H2;5-6,8-9,11,13H,2-4,7,10,12H2,1H3;1,4,7-9H,2-3,5-6,10-11H2;1,3,5-6,8,11-12H,2,4,7,9-10H2
InChIKeyFNQGMMOPBDCNLN-UHFFFAOYSA-N
XLogP18.27
TPSA417.12 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds18
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002500.50
LogP ≤ 518.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine with MolForge

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Related Compounds

2,5-Dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;bis(2-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide);5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;9-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane
CID 158138289
3-[4-(2,3-dimethylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-8-azaspiro[3.5]nonane;(3R)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-carbonitrile;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol
CID 158332247
bis(2-ethyl-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine);2-(methoxymethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(2H-pyrrol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 159456762
1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]ethanol;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 160706519
2,5-dimethyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-9-oxa-2-azaspiro[5.5]undecane;bis(1-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine)
CID 161595690
[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol;[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanol;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]ethanol;[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 161961540
3-[4-(Azepan-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine;6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
CID 158218153

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine (CID 158087049) is 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine is CC(C)(C)C1OCN2CCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)CC12.COCC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(C5CCOCC5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(C5COC5)C4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC(CN5CCOCC5)CC4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCC5(CC4)COC5)n3)cnc2cn1.
What is the InChIKey of 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine?
The InChIKey is FNQGMMOPBDCNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H24F3N7O.C20H21F3N6O.C19H21F3N6O.2C18H17F3N6O/c1-20(2,3)18-14-10-29(6-7-30(14)12-32-18)16-4-5-25-19(28-16)13-8-27-17-9-26-15(11-31(13)17)21(22,23)24;22-21(23,24)17-14-31-16(11-27-19(31)12-26-17)20-25-4-1-18(28-20)30-5-2-15(3-6-30)13-29-7-9-32-10-8-29;21-20(22,23)16-12-29-15(9-26-18(29)10-25-16)19-24-5-1-17(27-19)28-6-2-14(11-28)13-3-7-30-8-4-13;1-29-12-13-4-2-3-7-27(10-13)16-5-6-23-18(26-16)14-8-25-17-9-24-15(11-28(14)17)19(20,21)22;19-18(20,21)13-9-27-12(7-24-15(27)8-23-13)16-22-4-1-14(25-16)26-5-2-17(3-6-26)10-28-11-17;19-18(20,21)14-8-27-13(5-24-16(27)6-23-14)17-22-3-1-15(25-17)26-4-2-11(7-26)12-9-28-10-12/h4-5,8-9,11,14,18H,6-7,10,12H2,1-3H3;1,4,11-12,14-15H,2-3,5-10,13H2;1,5,9-10,12-14H,2-4,6-8,11H2;5-6,8-9,11,13H,2-4,7,10,12H2,1H3;1,4,7-9H,2-3,5-6,10-11H2;1,3,5-6,8,11-12H,2,4,7,9-10H2.
What are the key properties of 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine?
1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine has a molecular weight of 2500.50 g/mol, XLogP of 18.27, 18 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine;3-[4-[3-(methoxymethyl)azepan-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;7-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-7-azaspiro[3.5]nonane;4-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 158087049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).