3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine

C183H200ClF20N65O13 — CID 158875948

IUPAC3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(CO)c3C(F)(F)F)cnc2N)CC1.CC1CN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CCC1N.CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F.CN.Cc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)n1.Cc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)n1.Cc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)C2N.Nc1ncc(-c2nccc(Cl)c2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCCCC1
InChIInChI=1S/C27H30F3N9O2.C23H25F3N8O2.C23H27FN8O2.2C22H23F3N8O2.C22H23F3N8O.C22H25FN8O.C21H19ClF3N7O.CH5N/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;1-22(28)5-9-34(10-6-22)15-3-2-7-30-20(15)33-21(36)18-19(27)31-11-14(32-18)17-16(23(24,25)26)13(12-35)4-8-29-17;1-3-34-16-6-10-27-18(17(16)24)14-13-29-20(25)19(30-14)22(33)31-21-15(5-4-9-28-21)32-11-7-23(2,26)8-12-32;1-12-11-33(9-6-13(12)26)15-4-2-8-29-20(15)32-21(34)18-19(27)30-10-14(31-18)17-16(5-3-7-28-17)35-22(23,24)25;1-12-4-5-15(33-9-6-13(26)7-10-33)20(30-12)32-21(34)18-19(27)29-11-14(31-18)17-16(3-2-8-28-17)35-22(23,24)25;1-12-4-5-16(33-9-6-13(26)7-10-33)20(30-12)32-21(34)18-19(27)29-11-15(31-18)17-14(22(23,24)25)3-2-8-28-17;1-13-5-9-26-17(16(13)23)14-12-28-19(24)18(29-14)21(32)30-20-15(4-3-8-27-20)31-10-6-22(2,25)7-11-31;22-12-6-8-27-16(15(12)21(23,24)25)13-11-29-18(26)17(30-13)20(33)31-19-14(5-4-7-28-19)32-9-2-1-3-10-32;1-2/h1-2,5-7,12,15-16,21H,3-4,8-11,13-14,31H2,(H2,32,34)(H,33,37,40);2-4,7-8,11,35H,5-6,9-10,12,28H2,1H3,(H2,27,31)(H,30,33,36);4-6,9-10,13H,3,7-8,11-12,26H2,1-2H3,(H2,25,29)(H,28,31,33);2-5,7-8,10,12-13H,6,9,11,26H2,1H3,(H2,27,30)(H,29,32,34);2-5,8,11,13H,6-7,9-10,26H2,1H3,(H2,27,29)(H,30,32,34);2-5,8,11,13H,6-7,9-10,26H2,1H3,(H2,27,29)(H,30,32,34);3-5,8-9,12H,6-7,10-11,25H2,1-2H3,(H2,24,28)(H,27,30,32);4-8,11H,1-3,9-10H2,(H2,26,29)(H,28,31,33);2H2,1H3/t15-,16+,21?;;;;;;;;
InChIKeyJCKWRLFPGICVNO-GTEKHZFDSA-N
MW3933.47 g/mol
LogP23.32
Rot. Bonds38

About 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine

3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine (PubChem CID 158875948) has the molecular formula C183H200ClF20N65O13 and a molecular weight of 3933.47 g/mol. Its IUPAC name is 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine.

Molecular Properties

Compound Name3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine
PubChem CID158875948
Molecular FormulaC183H200ClF20N65O13
Molecular Weight3933.47 g/mol
Exact Mass3930.64
IUPAC Name3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(CO)c3C(F)(F)F)cnc2N)CC1.CC1CN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CCC1N.CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F.CN.Cc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)n1.Cc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)n1.Cc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)C2N.Nc1ncc(-c2nccc(Cl)c2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCCCC1
InChIInChI=1S/C27H30F3N9O2.C23H25F3N8O2.C23H27FN8O2.2C22H23F3N8O2.C22H23F3N8O.C22H25FN8O.C21H19ClF3N7O.CH5N/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;1-22(28)5-9-34(10-6-22)15-3-2-7-30-20(15)33-21(36)18-19(27)31-11-14(32-18)17-16(23(24,25)26)13(12-35)4-8-29-17;1-3-34-16-6-10-27-18(17(16)24)14-13-29-20(25)19(30-14)22(33)31-21-15(5-4-9-28-21)32-11-7-23(2,26)8-12-32;1-12-11-33(9-6-13(12)26)15-4-2-8-29-20(15)32-21(34)18-19(27)30-10-14(31-18)17-16(5-3-7-28-17)35-22(23,24)25;1-12-4-5-15(33-9-6-13(26)7-10-33)20(30-12)32-21(34)18-19(27)29-11-14(31-18)17-16(3-2-8-28-17)35-22(23,24)25;1-12-4-5-16(33-9-6-13(26)7-10-33)20(30-12)32-21(34)18-19(27)29-11-15(31-18)17-14(22(23,24)25)3-2-8-28-17;1-13-5-9-26-17(16(13)23)14-12-28-19(24)18(29-14)21(32)30-20-15(4-3-8-27-20)31-10-6-22(2,25)7-11-31;22-12-6-8-27-16(15(12)21(23,24)25)13-11-29-18(26)17(30-13)20(33)31-19-14(5-4-7-28-19)32-9-2-1-3-10-32;1-2/h1-2,5-7,12,15-16,21H,3-4,8-11,13-14,31H2,(H2,32,34)(H,33,37,40);2-4,7-8,11,35H,5-6,9-10,12,28H2,1H3,(H2,27,31)(H,30,33,36);4-6,9-10,13H,3,7-8,11-12,26H2,1-2H3,(H2,25,29)(H,28,31,33);2-5,7-8,10,12-13H,6,9,11,26H2,1H3,(H2,27,30)(H,29,32,34);2-5,8,11,13H,6-7,9-10,26H2,1H3,(H2,27,29)(H,30,32,34);2-5,8,11,13H,6-7,9-10,26H2,1H3,(H2,27,29)(H,30,32,34);3-5,8-9,12H,6-7,10-11,25H2,1-2H3,(H2,24,28)(H,27,30,32);4-8,11H,1-3,9-10H2,(H2,26,29)(H,28,31,33);2H2,1H3/t15-,16+,21?;;;;;;;;
InChIKeyJCKWRLFPGICVNO-GTEKHZFDSA-N
XLogP23.32
TPSA1147.91 Ų
H-Bond Donors25
H-Bond Acceptors70
Rotatable Bonds38
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003933.47
LogP ≤ 523.32
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1070

Analyze 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine?
The IUPAC name of 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine (CID 158875948) is 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine.
What is the SMILES notation for 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine?
The canonical SMILES for 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(CO)c3C(F)(F)F)cnc2N)CC1.CC1CN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CCC1N.CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F.CN.Cc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(-c3ncccc3C(F)(F)F)cnc2N)n1.Cc1ccc(N2CCC(N)CC2)c(NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)n1.Cc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F.Nc1ncc(-c2nc(N3CCOCC3)ccc2C(F)(F)F)nc1C(=O)Nc1ncccc1N1C[C@H]2CC[C@@H](C1)C2N.Nc1ncc(-c2nccc(Cl)c2C(F)(F)F)nc1C(=O)Nc1ncccc1N1CCCCC1.
What is the InChIKey of 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine?
The InChIKey is JCKWRLFPGICVNO-GTEKHZFDSA-N. The full InChI is InChI=1S/C27H30F3N9O2.C23H25F3N8O2.C23H27FN8O2.2C22H23F3N8O2.C22H23F3N8O.C22H25FN8O.C21H19ClF3N7O.CH5N/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;1-22(28)5-9-34(10-6-22)15-3-2-7-30-20(15)33-21(36)18-19(27)31-11-14(32-18)17-16(23(24,25)26)13(12-35)4-8-29-17;1-3-34-16-6-10-27-18(17(16)24)14-13-29-20(25)19(30-14)22(33)31-21-15(5-4-9-28-21)32-11-7-23(2,26)8-12-32;1-12-11-33(9-6-13(12)26)15-4-2-8-29-20(15)32-21(34)18-19(27)30-10-14(31-18)17-16(5-3-7-28-17)35-22(23,24)25;1-12-4-5-15(33-9-6-13(26)7-10-33)20(30-12)32-21(34)18-19(27)29-11-14(31-18)17-16(3-2-8-28-17)35-22(23,24)25;1-12-4-5-16(33-9-6-13(26)7-10-33)20(30-12)32-21(34)18-19(27)29-11-15(31-18)17-14(22(23,24)25)3-2-8-28-17;1-13-5-9-26-17(16(13)23)14-12-28-19(24)18(29-14)21(32)30-20-15(4-3-8-27-20)31-10-6-22(2,25)7-11-31;22-12-6-8-27-16(15(12)21(23,24)25)13-11-29-18(26)17(30-13)20(33)31-19-14(5-4-7-28-19)32-9-2-1-3-10-32;1-2/h1-2,5-7,12,15-16,21H,3-4,8-11,13-14,31H2,(H2,32,34)(H,33,37,40);2-4,7-8,11,35H,5-6,9-10,12,28H2,1H3,(H2,27,31)(H,30,33,36);4-6,9-10,13H,3,7-8,11-12,26H2,1-2H3,(H2,25,29)(H,28,31,33);2-5,7-8,10,12-13H,6,9,11,26H2,1H3,(H2,27,30)(H,29,32,34);2-5,8,11,13H,6-7,9-10,26H2,1H3,(H2,27,29)(H,30,32,34);2-5,8,11,13H,6-7,9-10,26H2,1H3,(H2,27,29)(H,30,32,34);3-5,8-9,12H,6-7,10-11,25H2,1-2H3,(H2,24,28)(H,27,30,32);4-8,11H,1-3,9-10H2,(H2,26,29)(H,28,31,33);2H2,1H3/t15-,16+,21?;;;;;;;;.
What are the key properties of 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine?
3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine has a molecular weight of 3933.47 g/mol, XLogP of 23.32, 38 rotatable bonds, 25 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(1R,5S)-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-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-4-methyl-2-pyridinyl)pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[4-(hydroxymethyl)-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-amino-3-methylpiperidin-1-yl)-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-N-[3-(4-aminopiperidin-1-yl)-6-methyl-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide;3-amino-6-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]-N-(3-piperidin-1-yl-2-pyridinyl)pyrazine-2-carboxamide;methanamine is sourced from PubChem (CID 158875948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).