tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C191H237Cl10N73O17S — CID 159018442

IUPACtert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)OC(=O)N1C2CCC1CC1(CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N1)C2.CC(c1ccccc1)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.COc1ccc(CN2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CC4CCC(C3)N4C(=O)CCc3ccc(OCc4ccccc4)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CC4CCC(C3)N4C(=O)c3cccc4[nH]ccc34)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(CC4CCCCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(CCCc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(Cc4ccncc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(S(=O)(=O)CCc4cccc(Cl)c4)CC3)N2)nc1Cl
InChIInChI=1S/C30H33ClN8O3.C23H24ClN9O2.C21H27ClN8O.C21H26ClN7O2.C20H24Cl2N8O3S.C20H25ClN8O.C19H27ClN8O3.C19H29ClN8O.C18H22ClN9O/c31-25-27(33)36-26(32)24(35-25)28(41)37-29-34-17-30(38-29)14-20-9-10-21(15-30)39(20)23(40)13-8-18-6-11-22(12-7-18)42-16-19-4-2-1-3-5-19;24-17-19(26)30-18(25)16(29-17)20(34)31-22-28-10-23(32-22)8-11-4-5-12(9-23)33(11)21(35)14-2-1-3-15-13(14)6-7-27-15;22-16-18(24)27-17(23)15(26-16)19(31)28-20-25-13-21(29-20)8-11-30(12-9-21)10-4-7-14-5-2-1-3-6-14;1-31-14-4-2-13(3-5-14)12-29-10-8-21(9-11-29)7-6-15(28-21)25-20(30)16-18(23)27-19(24)17(22)26-16;21-13-3-1-2-12(10-13)4-9-34(32,33)30-7-5-20(6-8-30)11-25-19(29-20)28-18(31)14-16(23)27-17(24)15(22)26-14;1-12(13-5-3-2-4-6-13)29-9-7-20(8-10-29)11-24-19(28-20)27-18(30)14-16(22)26-17(23)15(21)25-14;1-18(2,3)31-17(30)28-9-4-5-10(28)7-19(6-9)8-23-16(27-19)26-15(29)11-13(21)25-14(22)12(20)24-11;20-14-16(22)25-15(21)13(24-14)17(29)26-18-23-11-19(27-18)6-8-28(9-7-19)10-12-4-2-1-3-5-12;19-13-15(21)25-14(20)12(24-13)16(29)26-17-23-10-18(27-17)3-7-28(8-4-18)9-11-1-5-22-6-2-11/h1-7,11-12,20-21H,8-10,13-17H2,(H4,32,33,36)(H2,34,37,38,41);1-3,6-7,11-12,27H,4-5,8-10H2,(H4,25,26,30)(H2,28,31,32,34);1-3,5-6H,4,7-13H2,(H4,23,24,27)(H2,25,28,29,31);2-5H,6-12H2,1H3,(H4,23,24,27)(H,25,28,30);1-3,10H,4-9,11H2,(H4,23,24,27)(H2,25,28,29,31);2-6,12H,7-11H2,1H3,(H4,22,23,26)(H2,24,27,28,30);9-10H,4-8H2,1-3H3,(H4,21,22,25)(H2,23,26,27,29);12H,1-11H2,(H4,21,22,25)(H2,23,26,27,29);1-2,5-6H,3-4,7-10H2,(H4,20,21,25)(H2,23,26,27,29)
InChIKeyJTJPJEMNWBXWJC-UHFFFAOYSA-N
MW4214.09 g/mol
LogP14.19
Rot. Bonds33

About tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 159018442) has the molecular formula C191H237Cl10N73O17S and a molecular weight of 4214.09 g/mol. Its IUPAC name is tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Nametert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
PubChem CID159018442
Molecular FormulaC191H237Cl10N73O17S
Molecular Weight4214.09 g/mol
Exact Mass4206.65
IUPAC Nametert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)OC(=O)N1C2CCC1CC1(CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N1)C2.CC(c1ccccc1)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.COc1ccc(CN2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CC4CCC(C3)N4C(=O)CCc3ccc(OCc4ccccc4)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CC4CCC(C3)N4C(=O)c3cccc4[nH]ccc34)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(CC4CCCCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(CCCc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(Cc4ccncc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(S(=O)(=O)CCc4cccc(Cl)c4)CC3)N2)nc1Cl
InChIInChI=1S/C30H33ClN8O3.C23H24ClN9O2.C21H27ClN8O.C21H26ClN7O2.C20H24Cl2N8O3S.C20H25ClN8O.C19H27ClN8O3.C19H29ClN8O.C18H22ClN9O/c31-25-27(33)36-26(32)24(35-25)28(41)37-29-34-17-30(38-29)14-20-9-10-21(15-30)39(20)23(40)13-8-18-6-11-22(12-7-18)42-16-19-4-2-1-3-5-19;24-17-19(26)30-18(25)16(29-17)20(34)31-22-28-10-23(32-22)8-11-4-5-12(9-23)33(11)21(35)14-2-1-3-15-13(14)6-7-27-15;22-16-18(24)27-17(23)15(26-16)19(31)28-20-25-13-21(29-20)8-11-30(12-9-21)10-4-7-14-5-2-1-3-6-14;1-31-14-4-2-13(3-5-14)12-29-10-8-21(9-11-29)7-6-15(28-21)25-20(30)16-18(23)27-19(24)17(22)26-16;21-13-3-1-2-12(10-13)4-9-34(32,33)30-7-5-20(6-8-30)11-25-19(29-20)28-18(31)14-16(23)27-17(24)15(22)26-14;1-12(13-5-3-2-4-6-13)29-9-7-20(8-10-29)11-24-19(28-20)27-18(30)14-16(22)26-17(23)15(21)25-14;1-18(2,3)31-17(30)28-9-4-5-10(28)7-19(6-9)8-23-16(27-19)26-15(29)11-13(21)25-14(22)12(20)24-11;20-14-16(22)25-15(21)13(24-14)17(29)26-18-23-11-19(27-18)6-8-28(9-7-19)10-12-4-2-1-3-5-12;19-13-15(21)25-14(20)12(24-13)16(29)26-17-23-10-18(27-17)3-7-28(8-4-18)9-11-1-5-22-6-2-11/h1-7,11-12,20-21H,8-10,13-17H2,(H4,32,33,36)(H2,34,37,38,41);1-3,6-7,11-12,27H,4-5,8-10H2,(H4,25,26,30)(H2,28,31,32,34);1-3,5-6H,4,7-13H2,(H4,23,24,27)(H2,25,28,29,31);2-5H,6-12H2,1H3,(H4,23,24,27)(H,25,28,30);1-3,10H,4-9,11H2,(H4,23,24,27)(H2,25,28,29,31);2-6,12H,7-11H2,1H3,(H4,22,23,26)(H2,24,27,28,30);9-10H,4-8H2,1-3H3,(H4,21,22,25)(H2,23,26,27,29);12H,1-11H2,(H4,21,22,25)(H2,23,26,27,29);1-2,5-6H,3-4,7-10H2,(H4,20,21,25)(H2,23,26,27,29)
InChIKeyJTJPJEMNWBXWJC-UHFFFAOYSA-N
XLogP14.19
TPSA1340.64 Ų
H-Bond Donors36
H-Bond Acceptors76
Rotatable Bonds33
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004214.09
LogP ≤ 514.19
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1076

Analyze tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-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 tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 159018442) is tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CC(C)(C)OC(=O)N1C2CCC1CC1(CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N1)C2.CC(c1ccccc1)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.COc1ccc(CN2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CC4CCC(C3)N4C(=O)CCc3ccc(OCc4ccccc4)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CC4CCC(C3)N4C(=O)c3cccc4[nH]ccc34)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(CC4CCCCC4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(CCCc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(Cc4ccncc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(S(=O)(=O)CCc4cccc(Cl)c4)CC3)N2)nc1Cl.
What is the InChIKey of tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is JTJPJEMNWBXWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN8O3.C23H24ClN9O2.C21H27ClN8O.C21H26ClN7O2.C20H24Cl2N8O3S.C20H25ClN8O.C19H27ClN8O3.C19H29ClN8O.C18H22ClN9O/c31-25-27(33)36-26(32)24(35-25)28(41)37-29-34-17-30(38-29)14-20-9-10-21(15-30)39(20)23(40)13-8-18-6-11-22(12-7-18)42-16-19-4-2-1-3-5-19;24-17-19(26)30-18(25)16(29-17)20(34)31-22-28-10-23(32-22)8-11-4-5-12(9-23)33(11)21(35)14-2-1-3-15-13(14)6-7-27-15;22-16-18(24)27-17(23)15(26-16)19(31)28-20-25-13-21(29-20)8-11-30(12-9-21)10-4-7-14-5-2-1-3-6-14;1-31-14-4-2-13(3-5-14)12-29-10-8-21(9-11-29)7-6-15(28-21)25-20(30)16-18(23)27-19(24)17(22)26-16;21-13-3-1-2-12(10-13)4-9-34(32,33)30-7-5-20(6-8-30)11-25-19(29-20)28-18(31)14-16(23)27-17(24)15(22)26-14;1-12(13-5-3-2-4-6-13)29-9-7-20(8-10-29)11-24-19(28-20)27-18(30)14-16(22)26-17(23)15(21)25-14;1-18(2,3)31-17(30)28-9-4-5-10(28)7-19(6-9)8-23-16(27-19)26-15(29)11-13(21)25-14(22)12(20)24-11;20-14-16(22)25-15(21)13(24-14)17(29)26-18-23-11-19(27-18)6-8-28(9-7-19)10-12-4-2-1-3-5-12;19-13-15(21)25-14(20)12(24-13)16(29)26-17-23-10-18(27-17)3-7-28(8-4-18)9-11-1-5-22-6-2-11/h1-7,11-12,20-21H,8-10,13-17H2,(H4,32,33,36)(H2,34,37,38,41);1-3,6-7,11-12,27H,4-5,8-10H2,(H4,25,26,30)(H2,28,31,32,34);1-3,5-6H,4,7-13H2,(H4,23,24,27)(H2,25,28,29,31);2-5H,6-12H2,1H3,(H4,23,24,27)(H,25,28,30);1-3,10H,4-9,11H2,(H4,23,24,27)(H2,25,28,29,31);2-6,12H,7-11H2,1H3,(H4,22,23,26)(H2,24,27,28,30);9-10H,4-8H2,1-3H3,(H4,21,22,25)(H2,23,26,27,29);12H,1-11H2,(H4,21,22,25)(H2,23,26,27,29);1-2,5-6H,3-4,7-10H2,(H4,20,21,25)(H2,23,26,27,29).
What are the key properties of tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 4214.09 g/mol, XLogP of 14.19, 33 rotatable bonds, 36 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-8'-carboxylate;3,5-diamino-6-chloro-N-[8-[2-(3-chlorophenyl)ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-(1H-indole-4-carbonyl)spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-phenylethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8'-[3-(4-phenylmethoxyphenyl)propanoyl]spiro[1,4-dihydroimidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 159018442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).