3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C275H314Cl12N108O29S — CID 159973205

IUPAC3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1.COc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1[nH]c2ccc(CC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc2c1C.Cc1c(C)n(C)c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc12.Cn1nc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c2ccccc21.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4=NCc5ccccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CC(=O)N(CCCn5cccc5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc5c(c4)CCO5)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4csc5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(OCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc5[nH]c6c(c5c4)CCCC6)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccnc5[nH]ccc45)CC3)N2)nc1Cl
InChIInChI=1S/C26H27ClN8O3.C25H28ClN9O2.C24H31ClN10O3.2C24H28ClN9O2.C23H29ClN10O3.C23H27ClN8O3.C22H27ClN8O3.C22H23ClN8O2S.C21H23ClN10O2.C21H22ClN9O2.C20H21ClN10O2/c27-20-22(29)32-21(28)19(31-20)23(36)33-25-30-15-26(34-25)10-12-35(13-11-26)24(37)17-6-8-18(9-7-17)38-14-16-4-2-1-3-5-16;26-19-21(28)32-20(27)18(31-19)22(36)33-24-29-12-25(34-24)7-9-35(10-8-25)23(37)13-5-6-17-15(11-13)14-3-1-2-4-16(14)30-17;25-18-20(27)30-19(26)17(29-18)21(37)31-23-28-14-24(32-23)4-10-34(11-5-24)22(38)15-12-16(36)35(13-15)9-3-8-33-6-1-2-7-33;1-12-13(2)33(3)16-5-4-14(10-15(12)16)22(36)34-8-6-24(7-9-34)11-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;1-12-13(2)29-16-4-3-14(9-15(12)16)10-17(35)34-7-5-24(6-8-34)11-28-23(33-24)32-22(36)18-20(26)31-21(27)19(25)30-18;1-12(2)28-22(37)29-14-5-3-4-13(10-14)20(36)34-8-6-23(7-9-34)11-27-21(33-23)32-19(35)15-17(25)31-18(26)16(24)30-15;24-18-20(26)29-19(25)17(28-18)21(34)30-22-27-12-23(31-22)6-8-32(9-7-23)16(33)4-2-13-1-3-15-14(11-13)5-10-35-15;1-34-14-5-2-13(3-6-14)4-7-15(32)31-10-8-22(9-11-31)12-26-21(30-22)29-20(33)16-18(24)28-19(25)17(23)27-16;23-17-19(25)28-18(24)16(27-17)20(33)29-21-26-11-22(30-21)5-7-31(8-6-22)15(32)9-12-10-34-14-4-2-1-3-13(12)14;1-31-12-5-3-2-4-11(12)13(30-31)19(34)32-8-6-21(7-9-32)10-25-20(29-21)28-18(33)14-16(23)27-17(24)15(22)26-14;22-15-17(24)28-16(23)14(27-15)18(32)29-20-26-10-21(30-20)5-7-31(8-6-21)19(33)13-12-4-2-1-3-11(12)9-25-13;21-13-15(23)28-14(22)12(27-13)17(32)29-19-26-9-20(30-19)3-7-31(8-4-20)18(33)11-2-6-25-16-10(11)1-5-24-16/h1-9H,10-15H2,(H4,28,29,32)(H2,30,33,34,36);5-6,11,30H,1-4,7-10,12H2,(H4,27,28,32)(H2,29,33,34,36);1-2,6-7,15H,3-5,8-14H2,(H4,26,27,30)(H2,28,31,32,37);4-5,10H,6-9,11H2,1-3H3,(H4,26,27,30)(H2,28,31,32,35);3-4,9,29H,5-8,10-11H2,1-2H3,(H4,26,27,31)(H2,28,32,33,36);3-5,10,12H,6-9,11H2,1-2H3,(H4,25,26,31)(H2,28,29,37)(H2,27,32,33,35);1,3,11H,2,4-10,12H2,(H4,25,26,29)(H2,27,30,31,34);2-3,5-6H,4,7-12H2,1H3,(H4,24,25,28)(H2,26,29,30,33);1-4,10H,5-9,11H2,(H4,24,25,28)(H2,26,29,30,33);2-5H,6-10H2,1H3,(H4,23,24,27)(H2,25,28,29,33);1-4H,5-10H2,(H4,23,24,28)(H2,26,29,30,32);1-2,5-6H,3-4,7-9H2,(H,24,25)(H4,22,23,28)(H2,26,29,30,32)
InChIKeyOEUYMXNXHSLZPC-UHFFFAOYSA-N
MW6053.77 g/mol
LogP14.11
Rot. Bonds40

About 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 159973205) has the molecular formula C275H314Cl12N108O29S and a molecular weight of 6053.77 g/mol. Its IUPAC name is 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
PubChem CID159973205
Molecular FormulaC275H314Cl12N108O29S
Molecular Weight6053.77 g/mol
Exact Mass6044.24
IUPAC Name3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1.COc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1[nH]c2ccc(CC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc2c1C.Cc1c(C)n(C)c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc12.Cn1nc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c2ccccc21.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4=NCc5ccccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CC(=O)N(CCCn5cccc5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc5c(c4)CCO5)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4csc5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(OCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc5[nH]c6c(c5c4)CCCC6)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccnc5[nH]ccc45)CC3)N2)nc1Cl
InChIInChI=1S/C26H27ClN8O3.C25H28ClN9O2.C24H31ClN10O3.2C24H28ClN9O2.C23H29ClN10O3.C23H27ClN8O3.C22H27ClN8O3.C22H23ClN8O2S.C21H23ClN10O2.C21H22ClN9O2.C20H21ClN10O2/c27-20-22(29)32-21(28)19(31-20)23(36)33-25-30-15-26(34-25)10-12-35(13-11-26)24(37)17-6-8-18(9-7-17)38-14-16-4-2-1-3-5-16;26-19-21(28)32-20(27)18(31-19)22(36)33-24-29-12-25(34-24)7-9-35(10-8-25)23(37)13-5-6-17-15(11-13)14-3-1-2-4-16(14)30-17;25-18-20(27)30-19(26)17(29-18)21(37)31-23-28-14-24(32-23)4-10-34(11-5-24)22(38)15-12-16(36)35(13-15)9-3-8-33-6-1-2-7-33;1-12-13(2)33(3)16-5-4-14(10-15(12)16)22(36)34-8-6-24(7-9-34)11-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;1-12-13(2)29-16-4-3-14(9-15(12)16)10-17(35)34-7-5-24(6-8-34)11-28-23(33-24)32-22(36)18-20(26)31-21(27)19(25)30-18;1-12(2)28-22(37)29-14-5-3-4-13(10-14)20(36)34-8-6-23(7-9-34)11-27-21(33-23)32-19(35)15-17(25)31-18(26)16(24)30-15;24-18-20(26)29-19(25)17(28-18)21(34)30-22-27-12-23(31-22)6-8-32(9-7-23)16(33)4-2-13-1-3-15-14(11-13)5-10-35-15;1-34-14-5-2-13(3-6-14)4-7-15(32)31-10-8-22(9-11-31)12-26-21(30-22)29-20(33)16-18(24)28-19(25)17(23)27-16;23-17-19(25)28-18(24)16(27-17)20(33)29-21-26-11-22(30-21)5-7-31(8-6-22)15(32)9-12-10-34-14-4-2-1-3-13(12)14;1-31-12-5-3-2-4-11(12)13(30-31)19(34)32-8-6-21(7-9-32)10-25-20(29-21)28-18(33)14-16(23)27-17(24)15(22)26-14;22-15-17(24)28-16(23)14(27-15)18(32)29-20-26-10-21(30-20)5-7-31(8-6-21)19(33)13-12-4-2-1-3-11(12)9-25-13;21-13-15(23)28-14(22)12(27-13)17(32)29-19-26-9-20(30-19)3-7-31(8-4-20)18(33)11-2-6-25-16-10(11)1-5-24-16/h1-9H,10-15H2,(H4,28,29,32)(H2,30,33,34,36);5-6,11,30H,1-4,7-10,12H2,(H4,27,28,32)(H2,29,33,34,36);1-2,6-7,15H,3-5,8-14H2,(H4,26,27,30)(H2,28,31,32,37);4-5,10H,6-9,11H2,1-3H3,(H4,26,27,30)(H2,28,31,32,35);3-4,9,29H,5-8,10-11H2,1-2H3,(H4,26,27,31)(H2,28,32,33,36);3-5,10,12H,6-9,11H2,1-2H3,(H4,25,26,31)(H2,28,29,37)(H2,27,32,33,35);1,3,11H,2,4-10,12H2,(H4,25,26,29)(H2,27,30,31,34);2-3,5-6H,4,7-12H2,1H3,(H4,24,25,28)(H2,26,29,30,33);1-4,10H,5-9,11H2,(H4,24,25,28)(H2,26,29,30,33);2-5H,6-10H2,1H3,(H4,23,24,27)(H2,25,28,29,33);1-4H,5-10H2,(H4,23,24,28)(H2,26,29,30,32);1-2,5-6H,3-4,7-9H2,(H,24,25)(H4,22,23,28)(H2,26,29,30,32)
InChIKeyOEUYMXNXHSLZPC-UHFFFAOYSA-N
XLogP14.11
TPSA2008.87 Ų
H-Bond Donors53
H-Bond Acceptors108
Rotatable Bonds40
Heavy Atoms425
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006053.77
LogP ≤ 514.11
H-Bond Donors ≤ 553
H-Bond Acceptors ≤ 10108

Analyze 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide with MolForge

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What is the IUPAC name of 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 159973205) is 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CC(C)NC(=O)Nc1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1.COc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1[nH]c2ccc(CC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc2c1C.Cc1c(C)n(C)c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc12.Cn1nc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c2ccccc21.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4=NCc5ccccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CC(=O)N(CCCn5cccc5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc5c(c4)CCO5)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4csc5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(OCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc5[nH]c6c(c5c4)CCCC6)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccnc5[nH]ccc45)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is OEUYMXNXHSLZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN8O3.C25H28ClN9O2.C24H31ClN10O3.2C24H28ClN9O2.C23H29ClN10O3.C23H27ClN8O3.C22H27ClN8O3.C22H23ClN8O2S.C21H23ClN10O2.C21H22ClN9O2.C20H21ClN10O2/c27-20-22(29)32-21(28)19(31-20)23(36)33-25-30-15-26(34-25)10-12-35(13-11-26)24(37)17-6-8-18(9-7-17)38-14-16-4-2-1-3-5-16;26-19-21(28)32-20(27)18(31-19)22(36)33-24-29-12-25(34-24)7-9-35(10-8-25)23(37)13-5-6-17-15(11-13)14-3-1-2-4-16(14)30-17;25-18-20(27)30-19(26)17(29-18)21(37)31-23-28-14-24(32-23)4-10-34(11-5-24)22(38)15-12-16(36)35(13-15)9-3-8-33-6-1-2-7-33;1-12-13(2)33(3)16-5-4-14(10-15(12)16)22(36)34-8-6-24(7-9-34)11-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;1-12-13(2)29-16-4-3-14(9-15(12)16)10-17(35)34-7-5-24(6-8-34)11-28-23(33-24)32-22(36)18-20(26)31-21(27)19(25)30-18;1-12(2)28-22(37)29-14-5-3-4-13(10-14)20(36)34-8-6-23(7-9-34)11-27-21(33-23)32-19(35)15-17(25)31-18(26)16(24)30-15;24-18-20(26)29-19(25)17(28-18)21(34)30-22-27-12-23(31-22)6-8-32(9-7-23)16(33)4-2-13-1-3-15-14(11-13)5-10-35-15;1-34-14-5-2-13(3-6-14)4-7-15(32)31-10-8-22(9-11-31)12-26-21(30-22)29-20(33)16-18(24)28-19(25)17(23)27-16;23-17-19(25)28-18(24)16(27-17)20(33)29-21-26-11-22(30-21)5-7-31(8-6-22)15(32)9-12-10-34-14-4-2-1-3-13(12)14;1-31-12-5-3-2-4-11(12)13(30-31)19(34)32-8-6-21(7-9-32)10-25-20(29-21)28-18(33)14-16(23)27-17(24)15(22)26-14;22-15-17(24)28-16(23)14(27-15)18(32)29-20-26-10-21(30-20)5-7-31(8-6-21)19(33)13-12-4-2-1-3-11(12)9-25-13;21-13-15(23)28-14(22)12(27-13)17(32)29-19-26-9-20(30-19)3-7-31(8-4-20)18(33)11-2-6-25-16-10(11)1-5-24-16/h1-9H,10-15H2,(H4,28,29,32)(H2,30,33,34,36);5-6,11,30H,1-4,7-10,12H2,(H4,27,28,32)(H2,29,33,34,36);1-2,6-7,15H,3-5,8-14H2,(H4,26,27,30)(H2,28,31,32,37);4-5,10H,6-9,11H2,1-3H3,(H4,26,27,30)(H2,28,31,32,35);3-4,9,29H,5-8,10-11H2,1-2H3,(H4,26,27,31)(H2,28,32,33,36);3-5,10,12H,6-9,11H2,1-2H3,(H4,25,26,31)(H2,28,29,37)(H2,27,32,33,35);1,3,11H,2,4-10,12H2,(H4,25,26,29)(H2,27,30,31,34);2-3,5-6H,4,7-12H2,1H3,(H4,24,25,28)(H2,26,29,30,33);1-4,10H,5-9,11H2,(H4,24,25,28)(H2,26,29,30,33);2-5H,6-10H2,1H3,(H4,23,24,27)(H2,25,28,29,33);1-4H,5-10H2,(H4,23,24,28)(H2,26,29,30,32);1-2,5-6H,3-4,7-9H2,(H,24,25)(H4,22,23,28)(H2,26,29,30,32).
What are the key properties of 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 6053.77 g/mol, XLogP of 14.11, 40 rotatable bonds, 53 hydrogen bond donors, and 108 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[8-[2-(1-benzothiophen-3-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(2,3-dimethyl-1H-indol-5-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3H-isoindole-1-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-methoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-methylindazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-oxo-1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-phenylmethoxybenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,2,3-trimethylindole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 159973205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).