3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C178H216Cl9N83O25S2 — CID 158375313

IUPAC3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCC(C)COC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2)CC1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCNCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCOCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCCc5c[nH]c6ccccc56)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccccn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cnc[nH]4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cnco4)CC3)N2)nc1Cl
InChIInChI=1S/C29H31ClN10O4S.C28H38ClN9O5S.C18H26ClN9O2.2C18H20ClN9O2.C18H25ClN8O3.C17H19ClN10O2.C16H19ClN10O2.C16H18ClN9O3/c30-23-25(32)37-24(31)22(36-23)26(41)38-28-34-16-29(39-28)9-12-40(13-10-29)27(42)17-4-3-5-19(14-17)45(43,44)35-11-8-18-15-33-21-7-2-1-6-20(18)21;1-17(2)15-43-19-6-10-38(11-7-19)44(41,42)20-5-3-4-18(14-20)26(40)37-12-8-28(9-13-37)16-32-27(36-28)35-25(39)21-23(30)34-24(31)22(29)33-21;2*19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)3-7-28(8-4-18)16(30)10-1-5-22-6-2-10;19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)4-7-28(8-5-18)16(30)10-3-1-2-6-22-10;19-12-14(21)24-13(20)11(23-12)15(28)25-17-22-9-18(26-17)3-5-27(6-4-18)16(29)10-1-7-30-8-2-10;18-11-13(20)25-12(19)10(24-11)14(29)26-16-22-7-17(27-16)2-5-28(6-3-17)15(30)9-1-4-21-8-23-9;17-10-12(19)24-11(18)9(23-10)13(28)25-15-21-6-16(26-15)1-3-27(4-2-16)14(29)8-5-20-7-22-8;17-10-12(19)23-11(18)9(22-10)13(27)24-15-21-6-16(25-15)1-3-26(4-2-16)14(28)8-5-20-7-29-8/h1-7,14-15,33,35H,8-13,16H2,(H4,31,32,37)(H2,34,38,39,41);3-5,14,17,19H,6-13,15-16H2,1-2H3,(H4,30,31,34)(H2,32,35,36,39);10,22H,1-9H2,(H4,20,21,25)(H2,23,26,27,29);1-2,5-6H,3-4,7-9H2,(H4,20,21,25)(H2,23,26,27,29);1-3,6H,4-5,7-9H2,(H4,20,21,25)(H2,23,26,27,29);10H,1-9H2,(H4,20,21,24)(H2,22,25,26,28);1,4,8H,2-3,5-7H2,(H4,19,20,25)(H2,22,26,27,29);5,7H,1-4,6H2,(H,20,22)(H4,18,19,24)(H2,21,25,26,28);5,7H,1-4,6H2,(H4,18,19,23)(H2,21,24,25,27)
InChIKeyGVCQAYZBOHFDQD-UHFFFAOYSA-N
MW4301.45 g/mol
LogP0.84
Rot. Bonds28

About 3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 158375313) has the molecular formula C178H216Cl9N83O25S2 and a molecular weight of 4301.45 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
PubChem CID158375313
Molecular FormulaC178H216Cl9N83O25S2
Molecular Weight4301.45 g/mol
Exact Mass4294.48
IUPAC Name3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCC(C)COC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2)CC1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCNCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCOCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCCc5c[nH]c6ccccc56)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccccn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cnc[nH]4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cnco4)CC3)N2)nc1Cl
InChIInChI=1S/C29H31ClN10O4S.C28H38ClN9O5S.C18H26ClN9O2.2C18H20ClN9O2.C18H25ClN8O3.C17H19ClN10O2.C16H19ClN10O2.C16H18ClN9O3/c30-23-25(32)37-24(31)22(36-23)26(41)38-28-34-16-29(39-28)9-12-40(13-10-29)27(42)17-4-3-5-19(14-17)45(43,44)35-11-8-18-15-33-21-7-2-1-6-20(18)21;1-17(2)15-43-19-6-10-38(11-7-19)44(41,42)20-5-3-4-18(14-20)26(40)37-12-8-28(9-13-37)16-32-27(36-28)35-25(39)21-23(30)34-24(31)22(29)33-21;2*19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)3-7-28(8-4-18)16(30)10-1-5-22-6-2-10;19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)4-7-28(8-5-18)16(30)10-3-1-2-6-22-10;19-12-14(21)24-13(20)11(23-12)15(28)25-17-22-9-18(26-17)3-5-27(6-4-18)16(29)10-1-7-30-8-2-10;18-11-13(20)25-12(19)10(24-11)14(29)26-16-22-7-17(27-16)2-5-28(6-3-17)15(30)9-1-4-21-8-23-9;17-10-12(19)24-11(18)9(23-10)13(28)25-15-21-6-16(26-15)1-3-27(4-2-16)14(29)8-5-20-7-22-8;17-10-12(19)23-11(18)9(22-10)13(27)24-15-21-6-16(25-15)1-3-26(4-2-16)14(28)8-5-20-7-29-8/h1-7,14-15,33,35H,8-13,16H2,(H4,31,32,37)(H2,34,38,39,41);3-5,14,17,19H,6-13,15-16H2,1-2H3,(H4,30,31,34)(H2,32,35,36,39);10,22H,1-9H2,(H4,20,21,25)(H2,23,26,27,29);1-2,5-6H,3-4,7-9H2,(H4,20,21,25)(H2,23,26,27,29);1-3,6H,4-5,7-9H2,(H4,20,21,25)(H2,23,26,27,29);10H,1-9H2,(H4,20,21,24)(H2,22,25,26,28);1,4,8H,2-3,5-7H2,(H4,19,20,25)(H2,22,26,27,29);5,7H,1-4,6H2,(H,20,22)(H4,18,19,24)(H2,21,25,26,28);5,7H,1-4,6H2,(H4,18,19,23)(H2,21,24,25,27)
InChIKeyGVCQAYZBOHFDQD-UHFFFAOYSA-N
XLogP0.84
TPSA1600.68 Ų
H-Bond Donors40
H-Bond Acceptors86
Rotatable Bonds28
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004301.45
LogP ≤ 50.84
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1086

Analyze 3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-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-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 158375313) is 3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CC(C)COC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2)CC1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCNCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4CCOCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCCc5c[nH]c6ccccc56)c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccccn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cnc[nH]4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cnco4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is GVCQAYZBOHFDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN10O4S.C28H38ClN9O5S.C18H26ClN9O2.2C18H20ClN9O2.C18H25ClN8O3.C17H19ClN10O2.C16H19ClN10O2.C16H18ClN9O3/c30-23-25(32)37-24(31)22(36-23)26(41)38-28-34-16-29(39-28)9-12-40(13-10-29)27(42)17-4-3-5-19(14-17)45(43,44)35-11-8-18-15-33-21-7-2-1-6-20(18)21;1-17(2)15-43-19-6-10-38(11-7-19)44(41,42)20-5-3-4-18(14-20)26(40)37-12-8-28(9-13-37)16-32-27(36-28)35-25(39)21-23(30)34-24(31)22(29)33-21;2*19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)3-7-28(8-4-18)16(30)10-1-5-22-6-2-10;19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)4-7-28(8-5-18)16(30)10-3-1-2-6-22-10;19-12-14(21)24-13(20)11(23-12)15(28)25-17-22-9-18(26-17)3-5-27(6-4-18)16(29)10-1-7-30-8-2-10;18-11-13(20)25-12(19)10(24-11)14(29)26-16-22-7-17(27-16)2-5-28(6-3-17)15(30)9-1-4-21-8-23-9;17-10-12(19)24-11(18)9(23-10)13(28)25-15-21-6-16(26-15)1-3-27(4-2-16)14(29)8-5-20-7-22-8;17-10-12(19)23-11(18)9(22-10)13(27)24-15-21-6-16(25-15)1-3-26(4-2-16)14(28)8-5-20-7-29-8/h1-7,14-15,33,35H,8-13,16H2,(H4,31,32,37)(H2,34,38,39,41);3-5,14,17,19H,6-13,15-16H2,1-2H3,(H4,30,31,34)(H2,32,35,36,39);10,22H,1-9H2,(H4,20,21,25)(H2,23,26,27,29);1-2,5-6H,3-4,7-9H2,(H4,20,21,25)(H2,23,26,27,29);1-3,6H,4-5,7-9H2,(H4,20,21,25)(H2,23,26,27,29);10H,1-9H2,(H4,20,21,24)(H2,22,25,26,28);1,4,8H,2-3,5-7H2,(H4,19,20,25)(H2,22,26,27,29);5,7H,1-4,6H2,(H,20,22)(H4,18,19,24)(H2,21,25,26,28);5,7H,1-4,6H2,(H4,18,19,23)(H2,21,24,25,27).
What are the key properties of 3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 4301.45 g/mol, XLogP of 0.84, 28 rotatable bonds, 40 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-(1H-imidazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(oxane-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158375313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).