(8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C67H65ClF6N22O2 — CID 160574084

IUPAC(8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESC1=C(c2cn[nH]c2)N2CCC[C@H]2CN1.FC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CC(c5cn[nH]c5)N5CCC[C@H]5C4)n3)cnc2cn1.O=C(OCc1ccccc1)N1C=C(c2cnn(Cc3ccccc3)c2)N2CCC[C@H]2C1
InChIInChI=1S/C25H26N4O2.C21H20F3N9.C11H5ClF3N5.C10H14N4/c30-25(31-19-21-10-5-2-6-11-21)27-17-23-12-7-13-29(23)24(18-27)22-14-26-28(16-22)15-20-8-3-1-4-9-20;22-21(23,24)17-12-33-15(8-27-19(33)9-26-17)20-25-4-3-18(30-20)31-10-14-2-1-5-32(14)16(11-31)13-6-28-29-7-13;12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15;1-2-9-6-11-7-10(14(9)3-1)8-4-12-13-5-8/h1-6,8-11,14,16,18,23H,7,12-13,15,17,19H2;3-4,6-9,12,14,16H,1-2,5,10-11H2,(H,28,29);1-5H;4-5,7,9,11H,1-3,6H2,(H,12,13)/t23-;14-,16?;;9-/m00.0/s1
InChIKeyRAXOTVILWIZLSB-BSFTUHFASA-N
MW1359.85 g/mol
LogP10.93
Rot. Bonds10

About (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

(8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 160574084) has the molecular formula C67H65ClF6N22O2 and a molecular weight of 1359.85 g/mol. Its IUPAC name is (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID160574084
Molecular FormulaC67H65ClF6N22O2
Molecular Weight1359.85 g/mol
Exact Mass1358.53
IUPAC Name(8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESC1=C(c2cn[nH]c2)N2CCC[C@H]2CN1.FC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CC(c5cn[nH]c5)N5CCC[C@H]5C4)n3)cnc2cn1.O=C(OCc1ccccc1)N1C=C(c2cnn(Cc3ccccc3)c2)N2CCC[C@H]2C1
InChIInChI=1S/C25H26N4O2.C21H20F3N9.C11H5ClF3N5.C10H14N4/c30-25(31-19-21-10-5-2-6-11-21)27-17-23-12-7-13-29(23)24(18-27)22-14-26-28(16-22)15-20-8-3-1-4-9-20;22-21(23,24)17-12-33-15(8-27-19(33)9-26-17)20-25-4-3-18(30-20)31-10-14-2-1-5-32(14)16(11-31)13-6-28-29-7-13;12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15;1-2-9-6-11-7-10(14(9)3-1)8-4-12-13-5-8/h1-6,8-11,14,16,18,23H,7,12-13,15,17,19H2;3-4,6-9,12,14,16H,1-2,5,10-11H2,(H,28,29);1-5H;4-5,7,9,11H,1-3,6H2,(H,12,13)/t23-;14-,16?;;9-/m00.0/s1
InChIKeyRAXOTVILWIZLSB-BSFTUHFASA-N
XLogP10.93
TPSA241.65 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001359.85
LogP ≤ 510.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

benzyl (3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidine-1-carboxylate;12-[(3R,4S)-4-ethylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;(3S,4R)-3-ethyl-4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;methane;2,2,2-trifluoroethanamine
CID 157061092
3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-phenylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]pyrrolidin-2-one
CID 157242551
7-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;2-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-c][1,3]oxazin-6-one;2-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one;7-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157318378
(2R,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(2S,6R)-4-[2-[7-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;3-[4-[3-fluoro-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;3-[4-[(2S,3R)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157326717
(2S,6S)-2-methyl-6-(1H-pyrazol-5-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;3-[2-[(3S,5S)-3-methyl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-methyl-5-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2S,6S)-2-methyl-6-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine;(2R,6R)-2-methyl-6-(2H-pyrrol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 157746318
azane;5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
CID 158080952
(3S)-1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-2-yl]piperidine-3-carboxamide;(2R,6R)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine;3-[2-[(2R,5R)-2,5-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(2S,5S)-2,5-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(2R,5R)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(2S,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158763518
6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);bis((2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine)
CID 158856231
(2S,6S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(2R,6S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(2R,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159165382
benzyl 3-amino-4,4-difluoropiperidine-1-carboxylate;benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate;N-(4,4-difluoropiperidin-3-yl)-6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-amine;methane
CID 161556273
6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;bis((2R,6S)-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine);(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 161892836
(2R,6R)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-2-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;(2S,6S)-4-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine;(3S)-1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidine-3-carboxamide;6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[5-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 162230254

Frequently Asked Questions

What is the IUPAC name of (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 160574084) is (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is C1=C(c2cn[nH]c2)N2CCC[C@H]2CN1.FC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CC(c5cn[nH]c5)N5CCC[C@H]5C4)n3)cnc2cn1.O=C(OCc1ccccc1)N1C=C(c2cnn(Cc3ccccc3)c2)N2CCC[C@H]2C1.
What is the InChIKey of (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is RAXOTVILWIZLSB-BSFTUHFASA-N. The full InChI is InChI=1S/C25H26N4O2.C21H20F3N9.C11H5ClF3N5.C10H14N4/c30-25(31-19-21-10-5-2-6-11-21)27-17-23-12-7-13-29(23)24(18-27)22-14-26-28(16-22)15-20-8-3-1-4-9-20;22-21(23,24)17-12-33-15(8-27-19(33)9-26-17)20-25-4-3-18(30-20)31-10-14-2-1-5-32(14)16(11-31)13-6-28-29-7-13;12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15;1-2-9-6-11-7-10(14(9)3-1)8-4-12-13-5-8/h1-6,8-11,14,16,18,23H,7,12-13,15,17,19H2;3-4,6-9,12,14,16H,1-2,5,10-11H2,(H,28,29);1-5H;4-5,7,9,11H,1-3,6H2,(H,12,13)/t23-;14-,16?;;9-/m00.0/s1.
What are the key properties of (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
(8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 1359.85 g/mol, XLogP of 10.93, 10 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-4-(1H-pyrazol-4-yl)-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine;3-[4-[(8aS)-4-(1H-pyrazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;benzyl (8aS)-4-(1-benzylpyrazol-4-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 160574084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).