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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane

C184H227Cl9N80O25S2 — CID 157477178

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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane
SMILESCC.CC(C)COC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)CC1.CN(CCc1c[nH]c2ccccc12)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)C2CCNCC2)CC3)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)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/C31H34ClN9O4S.C29H39ClN8O5S.C19H27ClN8O2.2C18H20ClN9O2.C18H25ClN8O3.C17H19ClN10O2.C16H19ClN10O2.C16H18ClN9O3.C2H6/c1-40(14-10-20-18-35-23-8-3-2-7-22(20)23)46(44,45)21-6-4-5-19(17-21)30(43)41-15-12-31(13-16-41)11-9-24(39-31)36-29(42)25-27(33)38-28(34)26(32)37-25;1-18(2)17-43-20-7-12-38(13-8-20)44(41,42)21-5-3-4-19(16-21)28(40)37-14-10-29(11-15-37)9-6-22(36-29)33-27(39)23-25(31)35-26(32)24(30)34-23;20-14-16(22)26-15(21)13(25-14)17(29)24-12-1-4-19(27-12)5-9-28(10-6-19)18(30)11-2-7-23-8-3-11;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;1-2/h2-8,17-18,35H,9-16H2,1H3,(H4,33,34,38)(H,36,39,42);3-5,16,18,20H,6-15,17H2,1-2H3,(H4,31,32,35)(H,33,36,39);11,23H,1-10H2,(H4,21,22,26)(H,24,27,29);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);1-2H3
InChIKeyBVSQUBNIXDHNDN-UHFFFAOYSA-N
MW4342.59 g/mol
LogP5.91
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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane

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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane (PubChem CID 157477178) has the molecular formula C184H227Cl9N80O25S2 and a molecular weight of 4342.59 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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane.

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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane
PubChem CID157477178
Molecular FormulaC184H227Cl9N80O25S2
Molecular Weight4342.59 g/mol
Exact Mass4335.56
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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane
SMILESCC.CC(C)COC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)CC1.CN(CCc1c[nH]c2ccccc12)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)C2CCNCC2)CC3)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)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/C31H34ClN9O4S.C29H39ClN8O5S.C19H27ClN8O2.2C18H20ClN9O2.C18H25ClN8O3.C17H19ClN10O2.C16H19ClN10O2.C16H18ClN9O3.C2H6/c1-40(14-10-20-18-35-23-8-3-2-7-22(20)23)46(44,45)21-6-4-5-19(17-21)30(43)41-15-12-31(13-16-41)11-9-24(39-31)36-29(42)25-27(33)38-28(34)26(32)37-25;1-18(2)17-43-20-7-12-38(13-8-20)44(41,42)21-5-3-4-19(16-21)28(40)37-14-10-29(11-15-37)9-6-22(36-29)33-27(39)23-25(31)35-26(32)24(30)34-23;20-14-16(22)26-15(21)13(25-14)17(29)24-12-1-4-19(27-12)5-9-28(10-6-19)18(30)11-2-7-23-8-3-11;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;1-2/h2-8,17-18,35H,9-16H2,1H3,(H4,33,34,38)(H,36,39,42);3-5,16,18,20H,6-15,17H2,1-2H3,(H4,31,32,35)(H,33,36,39);11,23H,1-10H2,(H4,21,22,26)(H,24,27,29);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);1-2H3
InChIKeyBVSQUBNIXDHNDN-UHFFFAOYSA-N
XLogP5.91
TPSA1555.80 Ų
H-Bond Donors36
H-Bond Acceptors83
Rotatable Bonds28
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004342.59
LogP ≤ 55.91
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1083

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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane 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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane?
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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane (CID 157477178) 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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane.
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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane?
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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane is CC.CC(C)COC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)c2)CC1.CN(CCc1c[nH]c2ccccc12)S(=O)(=O)c1cccc(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)c1.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)C2CCNCC2)CC3)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)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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane?
The InChIKey is BVSQUBNIXDHNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN9O4S.C29H39ClN8O5S.C19H27ClN8O2.2C18H20ClN9O2.C18H25ClN8O3.C17H19ClN10O2.C16H19ClN10O2.C16H18ClN9O3.C2H6/c1-40(14-10-20-18-35-23-8-3-2-7-22(20)23)46(44,45)21-6-4-5-19(17-21)30(43)41-15-12-31(13-16-41)11-9-24(39-31)36-29(42)25-27(33)38-28(34)26(32)37-25;1-18(2)17-43-20-7-12-38(13-8-20)44(41,42)21-5-3-4-19(16-21)28(40)37-14-10-29(11-15-37)9-6-22(36-29)33-27(39)23-25(31)35-26(32)24(30)34-23;20-14-16(22)26-15(21)13(25-14)17(29)24-12-1-4-19(27-12)5-9-28(10-6-19)18(30)11-2-7-23-8-3-11;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;1-2/h2-8,17-18,35H,9-16H2,1H3,(H4,33,34,38)(H,36,39,42);3-5,16,18,20H,6-15,17H2,1-2H3,(H4,31,32,35)(H,33,36,39);11,23H,1-10H2,(H4,21,22,26)(H,24,27,29);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);1-2H3.
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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane?
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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane has a molecular weight of 4342.59 g/mol, XLogP of 5.91, 28 rotatable bonds, 36 hydrogen bond donors, and 83 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)ethyl-methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)piperidin-1-yl]sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-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)-1,8-diazaspiro[4.5]dec-1-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;ethane is sourced from PubChem (CID 157477178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).