3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C165H184F10N60O11S — CID 158327207

IUPAC3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.CCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(OC)c3C(F)(F)F)cnc2N)CC1.CCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3F)cnc2N)CC1.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)C2N.Nc1ncc(-c2ncnc3c2CCCC3)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2ncnc3sccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C27H30F3N9O2.C25H29F3N8O2.C23H25F3N8O2.C23H27FN8O.C23H25N9O2.C23H27N9O.C21H21N9OS/c28-27(29,30)17-5-6-20(38-8-10-41-11-9-38)36-22(17)18-12-34-24(32)23(35-18)26(40)37-25-19(2-1-7-33-25)39-13-15-3-4-16(14-39)21(15)31;1-3-7-24(30)8-12-36(13-9-24)16-5-4-10-32-22(16)35-23(37)20-21(29)33-14-15(34-20)19-18(25(26,27)28)17(38-2)6-11-31-19;1-2-22(28)7-11-34(12-8-22)15-5-3-10-30-20(15)33-21(35)18-19(27)31-13-14(32-18)17-16(6-4-9-29-17)36-23(24,25)26;1-2-7-23(26)8-12-32(13-9-23)17-6-4-11-28-21(17)31-22(33)19-20(25)29-14-16(30-19)18-15(24)5-3-10-27-18;1-23(26)6-10-32(11-7-23)16-4-3-8-28-21(16)31-22(33)19-20(25)29-13-15(30-19)18-14(12-24)17(34-2)5-9-27-18;24-14-7-10-32(11-8-14)18-6-3-9-26-22(18)31-23(33)20-21(25)27-12-17(30-20)19-15-4-1-2-5-16(15)28-13-29-19;22-12-3-7-30(8-4-12)15-2-1-6-24-19(15)29-20(31)17-18(23)25-10-14(28-17)16-13-5-9-32-21(13)27-11-26-16/h1-2,5-7,12,15-16,21H,3-4,8-11,13-14,31H2,(H2,32,34)(H,33,37,40);4-6,10-11,14H,3,7-9,12-13,30H2,1-2H3,(H2,29,33)(H,32,35,37);3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);3-6,10-11,14H,2,7-9,12-13,26H2,1H3,(H2,25,29)(H,28,31,33);3-5,8-9,13H,6-7,10-11,26H2,1-2H3,(H2,25,29)(H,28,31,33);3,6,9,12-14H,1-2,4-5,7-8,10-11,24H2,(H2,25,27)(H,26,31,33);1-2,5-6,9-12H,3-4,7-8,22H2,(H2,23,25)(H,24,29,31)/t15-,16+,21?;;;;;;
InChIKeyGPOCOXLLFFXKJU-RBIGZOSYSA-N
MW3405.74 g/mol
LogP19.31
Rot. Bonds37

About 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 158327207) has the molecular formula C165H184F10N60O11S and a molecular weight of 3405.74 g/mol. Its IUPAC name is 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID158327207
Molecular FormulaC165H184F10N60O11S
Molecular Weight3405.74 g/mol
Exact Mass3403.52
IUPAC Name3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.CCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(OC)c3C(F)(F)F)cnc2N)CC1.CCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3F)cnc2N)CC1.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)C2N.Nc1ncc(-c2ncnc3c2CCCC3)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2ncnc3sccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C27H30F3N9O2.C25H29F3N8O2.C23H25F3N8O2.C23H27FN8O.C23H25N9O2.C23H27N9O.C21H21N9OS/c28-27(29,30)17-5-6-20(38-8-10-41-11-9-38)36-22(17)18-12-34-24(32)23(35-18)26(40)37-25-19(2-1-7-33-25)39-13-15-3-4-16(14-39)21(15)31;1-3-7-24(30)8-12-36(13-9-24)16-5-4-10-32-22(16)35-23(37)20-21(29)33-14-15(34-20)19-18(25(26,27)28)17(38-2)6-11-31-19;1-2-22(28)7-11-34(12-8-22)15-5-3-10-30-20(15)33-21(35)18-19(27)31-13-14(32-18)17-16(6-4-9-29-17)36-23(24,25)26;1-2-7-23(26)8-12-32(13-9-23)17-6-4-11-28-21(17)31-22(33)19-20(25)29-14-16(30-19)18-15(24)5-3-10-27-18;1-23(26)6-10-32(11-7-23)16-4-3-8-28-21(16)31-22(33)19-20(25)29-13-15(30-19)18-14(12-24)17(34-2)5-9-27-18;24-14-7-10-32(11-8-14)18-6-3-9-26-22(18)31-23(33)20-21(25)27-12-17(30-20)19-15-4-1-2-5-16(15)28-13-29-19;22-12-3-7-30(8-4-12)15-2-1-6-24-19(15)29-20(31)17-18(23)25-10-14(28-17)16-13-5-9-32-21(13)27-11-26-16/h1-2,5-7,12,15-16,21H,3-4,8-11,13-14,31H2,(H2,32,34)(H,33,37,40);4-6,10-11,14H,3,7-9,12-13,30H2,1-2H3,(H2,29,33)(H,32,35,37);3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);3-6,10-11,14H,2,7-9,12-13,26H2,1H3,(H2,25,29)(H,28,31,33);3-5,8-9,13H,6-7,10-11,26H2,1-2H3,(H2,25,29)(H,28,31,33);3,6,9,12-14H,1-2,4-5,7-8,10-11,24H2,(H2,25,27)(H,26,31,33);1-2,5-6,9-12H,3-4,7-8,22H2,(H2,23,25)(H,24,29,31)/t15-,16+,21?;;;;;;
InChIKeyGPOCOXLLFFXKJU-RBIGZOSYSA-N
XLogP19.31
TPSA1041.31 Ų
H-Bond Donors21
H-Bond Acceptors65
Rotatable Bonds37
Heavy Atoms247
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003405.74
LogP ≤ 519.31
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1065

Analyze 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 158327207) is 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is CCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC1.CCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(OC)c3C(F)(F)F)cnc2N)CC1.CCCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3F)cnc2N)CC1.COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)C2N.Nc1ncc(-c2ncnc3c2CCCC3)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.Nc1ncc(-c2ncnc3sccc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is GPOCOXLLFFXKJU-RBIGZOSYSA-N. The full InChI is InChI=1S/C27H30F3N9O2.C25H29F3N8O2.C23H25F3N8O2.C23H27FN8O.C23H25N9O2.C23H27N9O.C21H21N9OS/c28-27(29,30)17-5-6-20(38-8-10-41-11-9-38)36-22(17)18-12-34-24(32)23(35-18)26(40)37-25-19(2-1-7-33-25)39-13-15-3-4-16(14-39)21(15)31;1-3-7-24(30)8-12-36(13-9-24)16-5-4-10-32-22(16)35-23(37)20-21(29)33-14-15(34-20)19-18(25(26,27)28)17(38-2)6-11-31-19;1-2-22(28)7-11-34(12-8-22)15-5-3-10-30-20(15)33-21(35)18-19(27)31-13-14(32-18)17-16(6-4-9-29-17)36-23(24,25)26;1-2-7-23(26)8-12-32(13-9-23)17-6-4-11-28-21(17)31-22(33)19-20(25)29-14-16(30-19)18-15(24)5-3-10-27-18;1-23(26)6-10-32(11-7-23)16-4-3-8-28-21(16)31-22(33)19-20(25)29-13-15(30-19)18-14(12-24)17(34-2)5-9-27-18;24-14-7-10-32(11-8-14)18-6-3-9-26-22(18)31-23(33)20-21(25)27-12-17(30-20)19-15-4-1-2-5-16(15)28-13-29-19;22-12-3-7-30(8-4-12)15-2-1-6-24-19(15)29-20(31)17-18(23)25-10-14(28-17)16-13-5-9-32-21(13)27-11-26-16/h1-2,5-7,12,15-16,21H,3-4,8-11,13-14,31H2,(H2,32,34)(H,33,37,40);4-6,10-11,14H,3,7-9,12-13,30H2,1-2H3,(H2,29,33)(H,32,35,37);3-6,9-10,13H,2,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35);3-6,10-11,14H,2,7-9,12-13,26H2,1H3,(H2,25,29)(H,28,31,33);3-5,8-9,13H,6-7,10-11,26H2,1-2H3,(H2,25,29)(H,28,31,33);3,6,9,12-14H,1-2,4-5,7-8,10-11,24H2,(H2,25,27)(H,26,31,33);1-2,5-6,9-12H,3-4,7-8,22H2,(H2,23,25)(H,24,29,31)/t15-,16+,21?;;;;;;.
What are the key properties of 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 3405.74 g/mol, XLogP of 19.31, 37 rotatable bonds, 21 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-ethylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)-2-pyridinyl]-6-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 158327207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).