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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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

C207H239Cl9N84O20S — CID 159648498

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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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.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.NC1=NC(N)C(Cl)N=C1C(=O)NC1=NCC2(CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)N1.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)CC4=NN=C(c5ccccc5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4csc5ccccc45)CC3)N2)nc1Cl
InChIInChI=1S/C25H30ClN9O2.C24H31ClN10O3.2C24H28ClN9O2.C23H29ClN10O3.C23H25ClN10O2.C22H23ClN8O2S.C21H23ClN10O2.C21H22ClN9O2/c26-19-21(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(36)30-22-27-12-23(31-22)6-8-34(9-7-23)16(35)11-14-10-15(33-32-14)13-4-2-1-3-5-13;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/h5-6,11,19,21,30H,1-4,7-10,12,28H2,(H2,27,32)(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);1-5H,6-12H2,(H4,25,26,29)(H2,27,30,31,36);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)
InChIKeyMRGMMKTZDIPYCF-UHFFFAOYSA-N
MW4574.90 g/mol
LogP9.16
Rot. Bonds28

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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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 159648498) has the molecular formula C207H239Cl9N84O20S and a molecular weight of 4574.90 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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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 CID159648498
Molecular FormulaC207H239Cl9N84O20S
Molecular Weight4574.90 g/mol
Exact Mass4567.72
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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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.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.NC1=NC(N)C(Cl)N=C1C(=O)NC1=NCC2(CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)N1.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)CC4=NN=C(c5ccccc5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4csc5ccccc45)CC3)N2)nc1Cl
InChIInChI=1S/C25H30ClN9O2.C24H31ClN10O3.2C24H28ClN9O2.C23H29ClN10O3.C23H25ClN10O2.C22H23ClN8O2S.C21H23ClN10O2.C21H22ClN9O2/c26-19-21(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(36)30-22-27-12-23(31-22)6-8-34(9-7-23)16(35)11-14-10-15(33-32-14)13-4-2-1-3-5-13;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/h5-6,11,19,21,30H,1-4,7-10,12,28H2,(H2,27,32)(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);1-5H,6-12H2,(H4,25,26,29)(H2,27,30,31,36);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)
InChIKeyMRGMMKTZDIPYCF-UHFFFAOYSA-N
XLogP9.16
TPSA1521.30 Ų
H-Bond Donors40
H-Bond Acceptors82
Rotatable Bonds28
Heavy Atoms321
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004574.90
LogP ≤ 59.16
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1082

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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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 159648498) 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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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.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.NC1=NC(N)C(Cl)N=C1C(=O)NC1=NCC2(CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)N1.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)CC4=NN=C(c5ccccc5)C4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4csc5ccccc45)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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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 MRGMMKTZDIPYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN9O2.C24H31ClN10O3.2C24H28ClN9O2.C23H29ClN10O3.C23H25ClN10O2.C22H23ClN8O2S.C21H23ClN10O2.C21H22ClN9O2/c26-19-21(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(36)30-22-27-12-23(31-22)6-8-34(9-7-23)16(35)11-14-10-15(33-32-14)13-4-2-1-3-5-13;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/h5-6,11,19,21,30H,1-4,7-10,12,28H2,(H2,27,32)(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);1-5H,6-12H2,(H4,25,26,29)(H2,27,30,31,36);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).
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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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 4574.90 g/mol, XLogP of 9.16, 28 rotatable bonds, 40 hydrogen bond donors, and 82 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-[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-(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-[2-(5-phenyl-4H-pyrazol-3-yl)acetyl]-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;2,6-diamino-3-chloro-N-[8-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-2,3-dihydropyrazine-5-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 159648498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).