3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

C231H258Cl11N75O29 — CID 158870273

IUPAC3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESCCCCCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)/C=C/c2ccccc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc(Cl)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc(OCCCc4ccc(OC[C@@H](O)CO)cc4)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc4c(c2)C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(OCc5ccc6cc(OC[C@@H](O)CO)ccc6c5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc5occc5c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccccc4)CC3)N2)nc1Cl
InChIInChI=1S/C33H35ClN8O6.C32H38ClN7O6.2C23H24ClN7O2.C22H24ClN7O2.C21H21ClN8O3.C20H21Cl2N7O2.C20H23ClN8O2.C19H21ClN8O2.C18H27ClN8O2/c34-27-29(36)39-28(35)26(38-27)30(45)40-32-37-18-33(41-32)9-11-42(12-10-33)31(46)20-3-6-24(7-4-20)47-16-19-1-2-22-14-25(8-5-21(22)13-19)48-17-23(44)15-43;33-27-29(35)38-28(34)26(37-27)30(43)36-25-11-12-32(39-25)13-15-40(16-14-32)31(44)21-5-9-23(10-6-21)45-17-1-2-20-3-7-24(8-4-20)46-19-22(42)18-41;24-18-20(26)29-19(25)17(28-18)21(32)27-16-7-8-23(30-16)9-11-31(12-10-23)22(33)15-6-2-4-13-3-1-5-14(13)15;24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15;23-18-20(25)28-19(24)17(27-18)21(32)26-15-8-9-22(29-15)10-12-30(13-11-22)16(31)7-6-14-4-2-1-3-5-14;22-15-17(24)27-16(23)14(26-15)18(31)28-20-25-10-21(29-20)4-6-30(7-5-21)19(32)12-1-2-13-11(9-12)3-8-33-13;21-12-3-1-11(2-4-12)19(31)29-9-7-20(8-10-29)6-5-13(28-20)25-18(30)14-16(23)27-17(24)15(22)26-14;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;20-13-15(22)25-14(21)12(24-13)16(29)26-18-23-10-19(27-18)6-8-28(9-7-19)17(30)11-4-2-1-3-5-11;1-2-3-4-5-11(28)27-8-6-18(7-9-27)10-22-17(26-18)25-16(29)12-14(20)24-15(21)13(19)23-12/h1-8,13-14,23,43-44H,9-12,15-18H2,(H4,35,36,39)(H2,37,40,41,45);3-10,22,41-42H,1-2,11-19H2,(H4,34,35,38)(H,36,39,43);1-2,4-6H,3,7-12H2,(H4,25,26,29)(H,27,30,32);1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32);1-7H,8-13H2,(H4,24,25,28)(H,26,29,32);1-3,8-9H,4-7,10H2,(H4,23,24,27)(H2,25,28,29,31);1-4H,5-10H2,(H4,23,24,27)(H,25,28,30);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-5H,6-10H2,(H4,21,22,25)(H2,23,26,27,29);2-10H2,1H3,(H4,20,21,24)(H2,22,25,26,29)/b;;;;7-6+;;;;;/t23-;22-;;;;;;;;/m00......../s1
InChIKeyJBTGHNBZZXPYEN-YWCASBOESA-N
MW4939.08 g/mol
LogP18.09
Rot. Bonds41

About 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 158870273) has the molecular formula C231H258Cl11N75O29 and a molecular weight of 4939.08 g/mol. Its IUPAC name is 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
PubChem CID158870273
Molecular FormulaC231H258Cl11N75O29
Molecular Weight4939.08 g/mol
Exact Mass4930.76
IUPAC Name3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
SMILESCCCCCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)/C=C/c2ccccc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc(Cl)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc(OCCCc4ccc(OC[C@@H](O)CO)cc4)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc4c(c2)C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(OCc5ccc6cc(OC[C@@H](O)CO)ccc6c5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc5occc5c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccccc4)CC3)N2)nc1Cl
InChIInChI=1S/C33H35ClN8O6.C32H38ClN7O6.2C23H24ClN7O2.C22H24ClN7O2.C21H21ClN8O3.C20H21Cl2N7O2.C20H23ClN8O2.C19H21ClN8O2.C18H27ClN8O2/c34-27-29(36)39-28(35)26(38-27)30(45)40-32-37-18-33(41-32)9-11-42(12-10-33)31(46)20-3-6-24(7-4-20)47-16-19-1-2-22-14-25(8-5-21(22)13-19)48-17-23(44)15-43;33-27-29(35)38-28(34)26(37-27)30(43)36-25-11-12-32(39-25)13-15-40(16-14-32)31(44)21-5-9-23(10-6-21)45-17-1-2-20-3-7-24(8-4-20)46-19-22(42)18-41;24-18-20(26)29-19(25)17(28-18)21(32)27-16-7-8-23(30-16)9-11-31(12-10-23)22(33)15-6-2-4-13-3-1-5-14(13)15;24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15;23-18-20(25)28-19(24)17(27-18)21(32)26-15-8-9-22(29-15)10-12-30(13-11-22)16(31)7-6-14-4-2-1-3-5-14;22-15-17(24)27-16(23)14(26-15)18(31)28-20-25-10-21(29-20)4-6-30(7-5-21)19(32)12-1-2-13-11(9-12)3-8-33-13;21-12-3-1-11(2-4-12)19(31)29-9-7-20(8-10-29)6-5-13(28-20)25-18(30)14-16(23)27-17(24)15(22)26-14;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;20-13-15(22)25-14(21)12(24-13)16(29)26-18-23-10-19(27-18)6-8-28(9-7-19)17(30)11-4-2-1-3-5-11;1-2-3-4-5-11(28)27-8-6-18(7-9-27)10-22-17(26-18)25-16(29)12-14(20)24-15(21)13(19)23-12/h1-8,13-14,23,43-44H,9-12,15-18H2,(H4,35,36,39)(H2,37,40,41,45);3-10,22,41-42H,1-2,11-19H2,(H4,34,35,38)(H,36,39,43);1-2,4-6H,3,7-12H2,(H4,25,26,29)(H,27,30,32);1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32);1-7H,8-13H2,(H4,24,25,28)(H,26,29,32);1-3,8-9H,4-7,10H2,(H4,23,24,27)(H2,25,28,29,31);1-4H,5-10H2,(H4,23,24,27)(H,25,28,30);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-5H,6-10H2,(H4,21,22,25)(H2,23,26,27,29);2-10H2,1H3,(H4,20,21,24)(H2,22,25,26,29)/b;;;;7-6+;;;;;/t23-;22-;;;;;;;;/m00......../s1
InChIKeyJBTGHNBZZXPYEN-YWCASBOESA-N
XLogP18.09
TPSA1587.03 Ų
H-Bond Donors39
H-Bond Acceptors84
Rotatable Bonds41
Heavy Atoms346
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004939.08
LogP ≤ 518.09
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1084

Analyze 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (CID 158870273) is 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is CCCCCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)/C=C/c2ccccc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc(Cl)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc(OCCCc4ccc(OC[C@@H](O)CO)cc4)cc2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc4c(c2)C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(OCc5ccc6cc(OC[C@@H](O)CO)ccc6c5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc5occc5c4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccccc4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is JBTGHNBZZXPYEN-YWCASBOESA-N. The full InChI is InChI=1S/C33H35ClN8O6.C32H38ClN7O6.2C23H24ClN7O2.C22H24ClN7O2.C21H21ClN8O3.C20H21Cl2N7O2.C20H23ClN8O2.C19H21ClN8O2.C18H27ClN8O2/c34-27-29(36)39-28(35)26(38-27)30(45)40-32-37-18-33(41-32)9-11-42(12-10-33)31(46)20-3-6-24(7-4-20)47-16-19-1-2-22-14-25(8-5-21(22)13-19)48-17-23(44)15-43;33-27-29(35)38-28(34)26(37-27)30(43)36-25-11-12-32(39-25)13-15-40(16-14-32)31(44)21-5-9-23(10-6-21)45-17-1-2-20-3-7-24(8-4-20)46-19-22(42)18-41;24-18-20(26)29-19(25)17(28-18)21(32)27-16-7-8-23(30-16)9-11-31(12-10-23)22(33)15-6-2-4-13-3-1-5-14(13)15;24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15;23-18-20(25)28-19(24)17(27-18)21(32)26-15-8-9-22(29-15)10-12-30(13-11-22)16(31)7-6-14-4-2-1-3-5-14;22-15-17(24)27-16(23)14(26-15)18(31)28-20-25-10-21(29-20)4-6-30(7-5-21)19(32)12-1-2-13-11(9-12)3-8-33-13;21-12-3-1-11(2-4-12)19(31)29-9-7-20(8-10-29)6-5-13(28-20)25-18(30)14-16(23)27-17(24)15(22)26-14;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;20-13-15(22)25-14(21)12(24-13)16(29)26-18-23-10-19(27-18)6-8-28(9-7-19)17(30)11-4-2-1-3-5-11;1-2-3-4-5-11(28)27-8-6-18(7-9-27)10-22-17(26-18)25-16(29)12-14(20)24-15(21)13(19)23-12/h1-8,13-14,23,43-44H,9-12,15-18H2,(H4,35,36,39)(H2,37,40,41,45);3-10,22,41-42H,1-2,11-19H2,(H4,34,35,38)(H,36,39,43);1-2,4-6H,3,7-12H2,(H4,25,26,29)(H,27,30,32);1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32);1-7H,8-13H2,(H4,24,25,28)(H,26,29,32);1-3,8-9H,4-7,10H2,(H4,23,24,27)(H2,25,28,29,31);1-4H,5-10H2,(H4,23,24,27)(H,25,28,30);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-5H,6-10H2,(H4,21,22,25)(H2,23,26,27,29);2-10H2,1H3,(H4,20,21,24)(H2,22,25,26,29)/b;;;;7-6+;;;;;/t23-;22-;;;;;;;;/m00......../s1.
What are the key properties of 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 4939.08 g/mol, XLogP of 18.09, 41 rotatable bonds, 39 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[8-(1-benzofuran-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(8-benzoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-(8-hexanoyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[(E)-3-phenylprop-2-enoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158870273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).