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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide

C204H229Cl10N69O27 — CID 158013582

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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-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)C#Cc2ccccc2)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)c2ccc(OCc4ccc5cc(OC[C@@H](O)CO)ccc5c4)cc2)CC3)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.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ncc[nH]4)CC3)N2)nc1Cl
InChIInChI=1S/C34H36ClN7O6.C32H38ClN7O6.C22H24ClN7O2.C22H22ClN7O2.C21H21ClN8O3.C20H21Cl2N7O2.C19H21ClN8O2.C18H27ClN8O2.C16H19ClN10O2/c35-29-31(37)40-30(36)28(39-29)32(45)38-27-9-10-34(41-27)11-13-42(14-12-34)33(46)21-3-6-25(7-4-21)47-18-20-1-2-23-16-26(8-5-22(23)15-20)48-19-24(44)17-43;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;2*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;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;17-9-11(19)24-10(18)8(23-9)13(28)25-15-22-7-16(26-15)1-5-27(6-2-16)14(29)12-20-3-4-21-12/h1-8,15-16,24,43-44H,9-14,17-19H2,(H4,36,37,40)(H,38,41,45);3-10,22,41-42H,1-2,11-19H2,(H4,34,35,38)(H,36,39,43);1-7H,8-13H2,(H4,24,25,28)(H,26,29,32);1-5H,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,6-10H2,(H4,21,22,25)(H2,23,26,27,29);2-10H2,1H3,(H4,20,21,24)(H2,22,25,26,29);3-4H,1-2,5-7H2,(H,20,21)(H4,18,19,24)(H2,22,25,26,28)/b;;7-6+;;;;;;/t24-;22-;;;;;;;/m00......./s1
InChIKeyFFEPTMRNLQHDAZ-CUHGFJCBSA-N
MW4434.06 g/mol
LogP14.83
Rot. Bonds37

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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 158013582) has the molecular formula C204H229Cl10N69O27 and a molecular weight of 4434.06 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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
PubChem CID158013582
Molecular FormulaC204H229Cl10N69O27
Molecular Weight4434.06 g/mol
Exact Mass4426.56
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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-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)C#Cc2ccccc2)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)c2ccc(OCc4ccc5cc(OC[C@@H](O)CO)ccc5c4)cc2)CC3)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.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ncc[nH]4)CC3)N2)nc1Cl
InChIInChI=1S/C34H36ClN7O6.C32H38ClN7O6.C22H24ClN7O2.C22H22ClN7O2.C21H21ClN8O3.C20H21Cl2N7O2.C19H21ClN8O2.C18H27ClN8O2.C16H19ClN10O2/c35-29-31(37)40-30(36)28(39-29)32(45)38-27-9-10-34(41-27)11-13-42(14-12-34)33(46)21-3-6-25(7-4-21)47-18-20-1-2-23-16-26(8-5-22(23)15-20)48-19-24(44)17-43;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;2*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;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;17-9-11(19)24-10(18)8(23-9)13(28)25-15-22-7-16(26-15)1-5-27(6-2-16)14(29)12-20-3-4-21-12/h1-8,15-16,24,43-44H,9-14,17-19H2,(H4,36,37,40)(H,38,41,45);3-10,22,41-42H,1-2,11-19H2,(H4,34,35,38)(H,36,39,43);1-7H,8-13H2,(H4,24,25,28)(H,26,29,32);1-5H,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,6-10H2,(H4,21,22,25)(H2,23,26,27,29);2-10H2,1H3,(H4,20,21,24)(H2,22,25,26,29);3-4H,1-2,5-7H2,(H,20,21)(H4,18,19,24)(H2,22,25,26,28)/b;;7-6+;;;;;;/t24-;22-;;;;;;;/m00......./s1
InChIKeyFFEPTMRNLQHDAZ-CUHGFJCBSA-N
XLogP14.83
TPSA1464.09 Ų
H-Bond Donors36
H-Bond Acceptors77
Rotatable Bonds37
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004434.06
LogP ≤ 514.83
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1077

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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide with MolForge

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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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide (CID 158013582) 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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-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)C#Cc2ccccc2)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)c2ccc(OCc4ccc5cc(OC[C@@H](O)CO)ccc5c4)cc2)CC3)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.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ncc[nH]4)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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is FFEPTMRNLQHDAZ-CUHGFJCBSA-N. The full InChI is InChI=1S/C34H36ClN7O6.C32H38ClN7O6.C22H24ClN7O2.C22H22ClN7O2.C21H21ClN8O3.C20H21Cl2N7O2.C19H21ClN8O2.C18H27ClN8O2.C16H19ClN10O2/c35-29-31(37)40-30(36)28(39-29)32(45)38-27-9-10-34(41-27)11-13-42(14-12-34)33(46)21-3-6-25(7-4-21)47-18-20-1-2-23-16-26(8-5-22(23)15-20)48-19-24(44)17-43;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;2*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;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;17-9-11(19)24-10(18)8(23-9)13(28)25-15-22-7-16(26-15)1-5-27(6-2-16)14(29)12-20-3-4-21-12/h1-8,15-16,24,43-44H,9-14,17-19H2,(H4,36,37,40)(H,38,41,45);3-10,22,41-42H,1-2,11-19H2,(H4,34,35,38)(H,36,39,43);1-7H,8-13H2,(H4,24,25,28)(H,26,29,32);1-5H,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,6-10H2,(H4,21,22,25)(H2,23,26,27,29);2-10H2,1H3,(H4,20,21,24)(H2,22,25,26,29);3-4H,1-2,5-7H2,(H,20,21)(H4,18,19,24)(H2,22,25,26,28)/b;;7-6+;;;;;;/t24-;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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 4434.06 g/mol, XLogP of 14.83, 37 rotatable bonds, 36 hydrogen bond donors, and 77 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]-1,8-diazaspiro[4.5]dec-1-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-imidazole-2-carbonyl)-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-6-chloro-N-[8-(3-phenylprop-2-ynoyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158013582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).