3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide

C85H79F16N33O3 — CID 160989829

IUPAC3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide
SMILESCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ncc(F)c(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCN=C2)N1.FC(F)(F)c1cn2c(-c3ccnc(N4CCCCC4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCOCC4)n3)cnc2cn1.NC(=O)C1COCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C20H18F4N8.C17H16F3N7O2.C17H17F3N6.C16H15F3N6.C15H13F3N6O/c1-11-8-31(9-14(29-11)12-2-3-25-4-12)19-28-5-13(21)18(30-19)15-6-27-17-7-26-16(10-32(15)17)20(22,23)24;18-17(19,20)12-8-27-11(5-24-14(27)6-23-12)16-22-2-1-13(25-16)26-3-4-29-9-10(7-26)15(21)28;1-11-3-2-6-25(9-11)14-4-5-21-16(24-14)12-7-23-15-8-22-13(10-26(12)15)17(18,19)20;17-16(18,19)13-10-25-12(8-22-14(25)9-21-13)11-4-5-20-15(23-11)24-6-2-1-3-7-24;16-15(17,18)11-9-24-10(7-21-13(24)8-20-11)14-19-2-1-12(22-14)23-3-5-25-6-4-23/h2,4-7,10-11,14,29H,3,8-9H2,1H3;1-2,5-6,8,10H,3-4,7,9H2,(H2,21,28);4-5,7-8,10-11H,2-3,6,9H2,1H3;4-5,8-10H,1-3,6-7H2;1-2,7-9H,3-6H2
InChIKeyTULXNDNRUPPGLN-UHFFFAOYSA-N
MW1914.76 g/mol
LogP12.34
Rot. Bonds12

About 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide

3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide (PubChem CID 160989829) has the molecular formula C85H79F16N33O3 and a molecular weight of 1914.76 g/mol. Its IUPAC name is 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide.

Molecular Properties

Compound Name3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide
PubChem CID160989829
Molecular FormulaC85H79F16N33O3
Molecular Weight1914.76 g/mol
Exact Mass1913.68
IUPAC Name3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide
SMILESCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ncc(F)c(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCN=C2)N1.FC(F)(F)c1cn2c(-c3ccnc(N4CCCCC4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCOCC4)n3)cnc2cn1.NC(=O)C1COCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C20H18F4N8.C17H16F3N7O2.C17H17F3N6.C16H15F3N6.C15H13F3N6O/c1-11-8-31(9-14(29-11)12-2-3-25-4-12)19-28-5-13(21)18(30-19)15-6-27-17-7-26-16(10-32(15)17)20(22,23)24;18-17(19,20)12-8-27-11(5-24-14(27)6-23-12)16-22-2-1-13(25-16)26-3-4-29-9-10(7-26)15(21)28;1-11-3-2-6-25(9-11)14-4-5-21-16(24-14)12-7-23-15-8-22-13(10-26(12)15)17(18,19)20;17-16(18,19)13-10-25-12(8-22-14(25)9-21-13)11-4-5-20-15(23-11)24-6-2-1-3-7-24;16-15(17,18)11-9-24-10(7-21-13(24)8-20-11)14-19-2-1-12(22-14)23-3-5-25-6-4-23/h2,4-7,10-11,14,29H,3,8-9H2,1H3;1-2,5-6,8,10H,3-4,7,9H2,(H2,21,28);4-5,7-8,10-11H,2-3,6,9H2,1H3;4-5,8-10H,1-3,6-7H2;1-2,7-9H,3-6H2
InChIKeyTULXNDNRUPPGLN-UHFFFAOYSA-N
XLogP12.34
TPSA381.99 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds12
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001914.76
LogP ≤ 512.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981
1-[3-[2-[1-[3-[2-(2,3-dimethylpyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethyl]-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-3-methoxypropan-1-one;ethane;2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740160
Ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
CID 157063868
(2S)-2-[[4-morpholin-4-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[4-pyrrolidin-1-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[6-pyrrolidin-1-yl-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;(2S)-2-[[4-pyrrolidin-1-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 157253615
4-[2-(5,10-Dimethyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(5,10-dimethyl-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(6,11-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;4-[2-(12-fluoro-6,11-dimethyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-8-yl)ethyl]morpholine;methane;4-[2-(6-methyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;hydrochloride
CID 157641158
3-[4-(3,3-Dimethylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3,3-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[2,2-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;3-[4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-methyl-5-[1-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-1,2,4-oxadiazole
CID 157657491
1-[(1R,5S)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;1-[(1S,5R)-6-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;tris(5-[1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine);5-[1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine;5-[1-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine
CID 157766882
2-[2-(diethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(dimethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[[(3S)-oxolan-3-yl]amino]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-pyrrolidin-1-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158064534
bis(6-chloro-3-[2-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyrazine);bis(2-methyl-6-(3H-pyrrol-5-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine)
CID 158106355
2-[2-[ethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-morpholin-4-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158113581
1-[(1S,5R)-6-[4-(6-amino-5-methyl-3-pyridinyl)-2-(cyclopropylmethyl)imidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone;5-[1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;5-[2-(cyclopropylmethyl)-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-ethyl-3-azabicyclo[3.1.0]hexane;(1S,5R)-6-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 158593024
2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158684303

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide?
The IUPAC name of 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide (CID 160989829) is 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide.
What is the SMILES notation for 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide?
The canonical SMILES for 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide is CC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ncc(F)c(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C2=CCN=C2)N1.FC(F)(F)c1cn2c(-c3ccnc(N4CCCCC4)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCOCC4)n3)cnc2cn1.NC(=O)C1COCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide?
The InChIKey is TULXNDNRUPPGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N8.C17H16F3N7O2.C17H17F3N6.C16H15F3N6.C15H13F3N6O/c1-11-8-31(9-14(29-11)12-2-3-25-4-12)19-28-5-13(21)18(30-19)15-6-27-17-7-26-16(10-32(15)17)20(22,23)24;18-17(19,20)12-8-27-11(5-24-14(27)6-23-12)16-22-2-1-13(25-16)26-3-4-29-9-10(7-26)15(21)28;1-11-3-2-6-25(9-11)14-4-5-21-16(24-14)12-7-23-15-8-22-13(10-26(12)15)17(18,19)20;17-16(18,19)13-10-25-12(8-22-14(25)9-21-13)11-4-5-20-15(23-11)24-6-2-1-3-7-24;16-15(17,18)11-9-24-10(7-21-13(24)8-20-11)14-19-2-1-12(22-14)23-3-5-25-6-4-23/h2,4-7,10-11,14,29H,3,8-9H2,1H3;1-2,5-6,8,10H,3-4,7,9H2,(H2,21,28);4-5,7-8,10-11H,2-3,6,9H2,1H3;4-5,8-10H,1-3,6-7H2;1-2,7-9H,3-6H2.
What are the key properties of 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide?
3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide has a molecular weight of 1914.76 g/mol, XLogP of 12.34, 12 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-[3-methyl-5-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine;4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-oxazepane-6-carboxamide is sourced from PubChem (CID 160989829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).