2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide

C172H151F28N67O11S4 — CID 158578743

IUPAC2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCC1c2ccsc2CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)o1.N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)C1CC1.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1cccnc1F.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1ccn[nH]1.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1.O=C(O)C1c2sccc2CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.[H]N=S1(=O)CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1
InChIInChI=1S/C22H18F4N8O.C21H19F3N8O4S.2C20H18F3N9O.C20H20F3N7O.C19H13F3N6O2S.C19H15F3N6S.C16H16F3N7.C15H14F3N7OS/c23-19-14(4-1-6-27-19)21(35)31-13-3-2-8-33(11-13)17-5-7-28-20(32-17)15-9-30-18-10-29-16(12-34(15)18)22(24,25)26;22-21(23,24)15-11-32-13(8-28-17(32)9-27-15)19-26-6-5-16(30-19)31-7-1-2-12(10-31)29-20(33)14-3-4-18(36-14)37(25,34)35;21-20(22,23)15-11-32-14(8-26-17(32)9-25-15)18-24-5-4-16(29-18)31-7-1-2-12(10-31)28-19(33)13-3-6-27-30-13;21-20(22,23)15-11-32-14(8-26-17(32)9-25-15)18-24-4-3-16(30-18)31-5-1-2-13(10-31)29-19(33)12-6-27-28-7-12;21-20(22,23)15-11-30-14(8-26-17(30)9-25-15)18-24-6-5-16(28-18)29-7-1-2-13(10-29)27-19(31)12-3-4-12;20-19(21,22)12-9-28-11(7-25-14(28)8-24-12)17-23-4-1-13(26-17)27-5-2-10-3-6-31-16(10)15(27)18(29)30;1-11-12-4-7-29-14(12)3-6-27(11)16-2-5-23-18(26-16)13-8-25-17-9-24-15(10-28(13)17)19(20,21)22;17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-4-3-13(24-15)25-5-1-2-10(20)8-25;16-15(17,18)11-9-25-10(7-22-13(25)8-21-11)14-20-2-1-12(23-14)24-3-5-27(19,26)6-4-24/h1,4-7,9-10,12-13H,2-3,8,11H2,(H,31,35);3-6,8-9,11-12H,1-2,7,10H2,(H,29,33)(H2,25,34,35);3-6,8-9,11-12H,1-2,7,10H2,(H,27,30)(H,28,33);3-4,6-9,11,13H,1-2,5,10H2,(H,27,28)(H,29,33);5-6,8-9,11-13H,1-4,7,10H2,(H,27,31);1,3-4,6-9,15H,2,5H2,(H,29,30);2,4-5,7-11H,3,6H2,1H3;3-4,6-7,9-10H,1-2,5,8,20H2;1-2,7-9,19H,3-6H2/t13-;2*12-;2*13-;;;10-;/m00000..0./s1
InChIKeyHSZFESMXHRYAHN-UACWGNSNSA-N
MW3992.77 g/mol
LogP24.39
Rot. Bonds30

About 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide

2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 158578743) has the molecular formula C172H151F28N67O11S4 and a molecular weight of 3992.77 g/mol. Its IUPAC name is 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID158578743
Molecular FormulaC172H151F28N67O11S4
Molecular Weight3992.77 g/mol
Exact Mass3990.18
IUPAC Name2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCC1c2ccsc2CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)o1.N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)C1CC1.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1cccnc1F.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1ccn[nH]1.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1.O=C(O)C1c2sccc2CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.[H]N=S1(=O)CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1
InChIInChI=1S/C22H18F4N8O.C21H19F3N8O4S.2C20H18F3N9O.C20H20F3N7O.C19H13F3N6O2S.C19H15F3N6S.C16H16F3N7.C15H14F3N7OS/c23-19-14(4-1-6-27-19)21(35)31-13-3-2-8-33(11-13)17-5-7-28-20(32-17)15-9-30-18-10-29-16(12-34(15)18)22(24,25)26;22-21(23,24)15-11-32-13(8-28-17(32)9-27-15)19-26-6-5-16(30-19)31-7-1-2-12(10-31)29-20(33)14-3-4-18(36-14)37(25,34)35;21-20(22,23)15-11-32-14(8-26-17(32)9-25-15)18-24-5-4-16(29-18)31-7-1-2-12(10-31)28-19(33)13-3-6-27-30-13;21-20(22,23)15-11-32-14(8-26-17(32)9-25-15)18-24-4-3-16(30-18)31-5-1-2-13(10-31)29-19(33)12-6-27-28-7-12;21-20(22,23)15-11-30-14(8-26-17(30)9-25-15)18-24-6-5-16(28-18)29-7-1-2-13(10-29)27-19(31)12-3-4-12;20-19(21,22)12-9-28-11(7-25-14(28)8-24-12)17-23-4-1-13(26-17)27-5-2-10-3-6-31-16(10)15(27)18(29)30;1-11-12-4-7-29-14(12)3-6-27(11)16-2-5-23-18(26-16)13-8-25-17-9-24-15(10-28(13)17)19(20,21)22;17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-4-3-13(24-15)25-5-1-2-10(20)8-25;16-15(17,18)11-9-25-10(7-22-13(25)8-21-11)14-20-2-1-12(23-14)24-3-5-27(19,26)6-4-24/h1,4-7,9-10,12-13H,2-3,8,11H2,(H,31,35);3-6,8-9,11-12H,1-2,7,10H2,(H,29,33)(H2,25,34,35);3-6,8-9,11-12H,1-2,7,10H2,(H,27,30)(H,28,33);3-4,6-9,11,13H,1-2,5,10H2,(H,27,28)(H,29,33);5-6,8-9,11-13H,1-4,7,10H2,(H,27,31);1,3-4,6-9,15H,2,5H2,(H,29,30);2,4-5,7-11H,3,6H2,1H3;3-4,6-7,9-10H,1-2,5,8,20H2;1-2,7-9,19H,3-6H2/t13-;2*12-;2*13-;;;10-;/m00000..0./s1
InChIKeyHSZFESMXHRYAHN-UACWGNSNSA-N
XLogP24.39
TPSA926.18 Ų
H-Bond Donors11
H-Bond Acceptors71
Rotatable Bonds30
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003992.77
LogP ≤ 524.39
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1071

Analyze 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide (CID 158578743) is 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide is CC1c2ccsc2CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4cnc5cnc(C(F)(F)F)cn45)n3)C2)o1.N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)C1CC1.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1cccnc1F.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1ccn[nH]1.O=C(N[C@H]1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1)c1cn[nH]c1.O=C(O)C1c2sccc2CCN1c1ccnc(-c2cnc3cnc(C(F)(F)F)cn23)n1.[H]N=S1(=O)CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1.
What is the InChIKey of 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is HSZFESMXHRYAHN-UACWGNSNSA-N. The full InChI is InChI=1S/C22H18F4N8O.C21H19F3N8O4S.2C20H18F3N9O.C20H20F3N7O.C19H13F3N6O2S.C19H15F3N6S.C16H16F3N7.C15H14F3N7OS/c23-19-14(4-1-6-27-19)21(35)31-13-3-2-8-33(11-13)17-5-7-28-20(32-17)15-9-30-18-10-29-16(12-34(15)18)22(24,25)26;22-21(23,24)15-11-32-13(8-28-17(32)9-27-15)19-26-6-5-16(30-19)31-7-1-2-12(10-31)29-20(33)14-3-4-18(36-14)37(25,34)35;21-20(22,23)15-11-32-14(8-26-17(32)9-25-15)18-24-5-4-16(29-18)31-7-1-2-12(10-31)28-19(33)13-3-6-27-30-13;21-20(22,23)15-11-32-14(8-26-17(32)9-25-15)18-24-4-3-16(30-18)31-5-1-2-13(10-31)29-19(33)12-6-27-28-7-12;21-20(22,23)15-11-30-14(8-26-17(30)9-25-15)18-24-6-5-16(28-18)29-7-1-2-13(10-29)27-19(31)12-3-4-12;20-19(21,22)12-9-28-11(7-25-14(28)8-24-12)17-23-4-1-13(26-17)27-5-2-10-3-6-31-16(10)15(27)18(29)30;1-11-12-4-7-29-14(12)3-6-27(11)16-2-5-23-18(26-16)13-8-25-17-9-24-15(10-28(13)17)19(20,21)22;17-16(18,19)12-9-26-11(6-23-14(26)7-22-12)15-21-4-3-13(24-15)25-5-1-2-10(20)8-25;16-15(17,18)11-9-25-10(7-22-13(25)8-21-11)14-20-2-1-12(23-14)24-3-5-27(19,26)6-4-24/h1,4-7,9-10,12-13H,2-3,8,11H2,(H,31,35);3-6,8-9,11-12H,1-2,7,10H2,(H,29,33)(H2,25,34,35);3-6,8-9,11-12H,1-2,7,10H2,(H,27,30)(H,28,33);3-4,6-9,11,13H,1-2,5,10H2,(H,27,28)(H,29,33);5-6,8-9,11-13H,1-4,7,10H2,(H,27,31);1,3-4,6-9,15H,2,5H2,(H,29,30);2,4-5,7-11H,3,6H2,1H3;3-4,6-7,9-10H,1-2,5,8,20H2;1-2,7-9,19H,3-6H2/t13-;2*12-;2*13-;;;10-;/m00000..0./s1.
What are the key properties of 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 3992.77 g/mol, XLogP of 24.39, 30 rotatable bonds, 11 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]pyridine-3-carboxamide;1-imino-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,4-thiazinane 1-oxide;4-methyl-5-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-sulfamoyl-N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]furan-2-carboxamide;6-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid;(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]cyclopropanecarboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 158578743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).