3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C194H215Cl9F3N75O27S2 — CID 161460991

IUPAC3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2noc(CCCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)n2)cc1.CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)N4CCc5cc(F)ccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4[nH]nc5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4cc(-c5ccccc5)no4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4nc(-c5ccc(Cl)cc5)no4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(=O)n(Cc5ccc(F)c(F)c5)c4)CC3)N2)nc1Cl
InChIInChI=1S/C25H24ClF2N9O3.C25H29ClN10O4.C25H30ClN9O5S.C25H28ClN9O3.C24H27ClFN9O3.C24H26ClN9O4S.C23H24Cl2N10O3.C23H27ClN10O2/c26-19-21(30)33-20(29)18(32-19)22(39)34-24-31-12-25(35-24)5-7-36(8-6-25)23(40)14-2-4-17(38)37(11-14)10-13-1-3-15(27)16(28)9-13;1-39-15-7-5-14(6-8-15)22-30-16(40-35-22)3-2-4-17(37)36-11-9-25(10-12-36)13-29-24(34-25)33-23(38)18-20(27)32-21(28)19(26)31-18;1-41(39,40)15-2-3-16-14(12-15)6-9-35(16)18(37)5-4-17(36)34-10-7-25(8-11-34)13-29-24(33-25)32-23(38)19-21(27)31-22(28)20(26)30-19;26-20-22(28)31-21(27)19(30-20)23(37)32-24-29-14-25(33-24)9-11-35(12-10-25)18(36)8-4-7-16-13-17(34-38-16)15-5-2-1-3-6-15;25-19-21(28)31-20(27)18(30-19)22(38)32-23-29-12-24(33-23)6-9-34(10-7-24)16(36)3-4-17(37)35-8-5-13-11-14(26)1-2-15(13)35;1-14-2-4-16(5-3-14)39(37,38)34-9-6-15(12-34)22(36)33-10-7-24(8-11-33)13-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;24-13-3-1-12(2-4-13)20-29-14(38-34-20)5-6-15(36)35-9-7-23(8-10-35)11-28-22(33-23)32-21(37)16-18(26)31-19(27)17(25)30-16;24-18-20(26)29-19(25)17(28-18)21(36)30-22-27-12-23(31-22)8-10-34(11-9-23)16(35)7-3-6-15-13-4-1-2-5-14(13)32-33-15/h1-4,9,11H,5-8,10,12H2,(H4,29,30,33)(H2,31,34,35,39);5-8H,2-4,9-13H2,1H3,(H4,27,28,32)(H2,29,33,34,38);2-3,12H,4-11,13H2,1H3,(H4,27,28,31)(H2,29,32,33,38);1-3,5-6,13H,4,7-12,14H2,(H4,27,28,31)(H2,29,32,33,37);1-2,11H,3-10,12H2,(H4,27,28,31)(H2,29,32,33,38);2-6,9,12H,7-8,10-11,13H2,1H3,(H4,26,27,30)(H2,28,31,32,35);1-4H,5-11H2,(H4,26,27,31)(H2,28,32,33,37);1-2,4-5H,3,6-12H2,(H,32,33)(H4,25,26,29)(H2,27,30,31,36)
InChIKeyWBUPJWCFMYNIFQ-UHFFFAOYSA-N
MW4469.56 g/mol
LogP9.50
Rot. Bonds40

About 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 161460991) has the molecular formula C194H215Cl9F3N75O27S2 and a molecular weight of 4469.56 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
PubChem CID161460991
Molecular FormulaC194H215Cl9F3N75O27S2
Molecular Weight4469.56 g/mol
Exact Mass4462.43
IUPAC Name3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2noc(CCCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)n2)cc1.CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)N4CCc5cc(F)ccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4[nH]nc5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4cc(-c5ccccc5)no4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4nc(-c5ccc(Cl)cc5)no4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(=O)n(Cc5ccc(F)c(F)c5)c4)CC3)N2)nc1Cl
InChIInChI=1S/C25H24ClF2N9O3.C25H29ClN10O4.C25H30ClN9O5S.C25H28ClN9O3.C24H27ClFN9O3.C24H26ClN9O4S.C23H24Cl2N10O3.C23H27ClN10O2/c26-19-21(30)33-20(29)18(32-19)22(39)34-24-31-12-25(35-24)5-7-36(8-6-25)23(40)14-2-4-17(38)37(11-14)10-13-1-3-15(27)16(28)9-13;1-39-15-7-5-14(6-8-15)22-30-16(40-35-22)3-2-4-17(37)36-11-9-25(10-12-36)13-29-24(34-25)33-23(38)18-20(27)32-21(28)19(26)31-18;1-41(39,40)15-2-3-16-14(12-15)6-9-35(16)18(37)5-4-17(36)34-10-7-25(8-11-34)13-29-24(33-25)32-23(38)19-21(27)31-22(28)20(26)30-19;26-20-22(28)31-21(27)19(30-20)23(37)32-24-29-14-25(33-24)9-11-35(12-10-25)18(36)8-4-7-16-13-17(34-38-16)15-5-2-1-3-6-15;25-19-21(28)31-20(27)18(30-19)22(38)32-23-29-12-24(33-23)6-9-34(10-7-24)16(36)3-4-17(37)35-8-5-13-11-14(26)1-2-15(13)35;1-14-2-4-16(5-3-14)39(37,38)34-9-6-15(12-34)22(36)33-10-7-24(8-11-33)13-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;24-13-3-1-12(2-4-13)20-29-14(38-34-20)5-6-15(36)35-9-7-23(8-10-35)11-28-22(33-23)32-21(37)16-18(26)31-19(27)17(25)30-16;24-18-20(26)29-19(25)17(28-18)21(36)30-22-27-12-23(31-22)8-10-34(11-9-23)16(35)7-3-6-15-13-4-1-2-5-14(13)32-33-15/h1-4,9,11H,5-8,10,12H2,(H4,29,30,33)(H2,31,34,35,39);5-8H,2-4,9-13H2,1H3,(H4,27,28,32)(H2,29,33,34,38);2-3,12H,4-11,13H2,1H3,(H4,27,28,31)(H2,29,32,33,38);1-3,5-6,13H,4,7-12,14H2,(H4,27,28,31)(H2,29,32,33,37);1-2,11H,3-10,12H2,(H4,27,28,31)(H2,29,32,33,38);2-6,9,12H,7-8,10-11,13H2,1H3,(H4,26,27,30)(H2,28,31,32,35);1-4H,5-11H2,(H4,26,27,31)(H2,28,32,33,37);1-2,4-5H,3,6-12H2,(H,32,33)(H4,25,26,29)(H2,27,30,31,36)
InChIKeyWBUPJWCFMYNIFQ-UHFFFAOYSA-N
XLogP9.50
TPSA1490.57 Ų
H-Bond Donors33
H-Bond Acceptors83
Rotatable Bonds40
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004469.56
LogP ≤ 59.50
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1083

Analyze 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide with MolForge

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What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 161460991) is 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is COc1ccc(-c2noc(CCCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)n2)cc1.CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)N4CCc5cc(F)ccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4[nH]nc5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4cc(-c5ccccc5)no4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4nc(-c5ccc(Cl)cc5)no4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(=O)n(Cc5ccc(F)c(F)c5)c4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is WBUPJWCFMYNIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF2N9O3.C25H29ClN10O4.C25H30ClN9O5S.C25H28ClN9O3.C24H27ClFN9O3.C24H26ClN9O4S.C23H24Cl2N10O3.C23H27ClN10O2/c26-19-21(30)33-20(29)18(32-19)22(39)34-24-31-12-25(35-24)5-7-36(8-6-25)23(40)14-2-4-17(38)37(11-14)10-13-1-3-15(27)16(28)9-13;1-39-15-7-5-14(6-8-15)22-30-16(40-35-22)3-2-4-17(37)36-11-9-25(10-12-36)13-29-24(34-25)33-23(38)18-20(27)32-21(28)19(26)31-18;1-41(39,40)15-2-3-16-14(12-15)6-9-35(16)18(37)5-4-17(36)34-10-7-25(8-11-34)13-29-24(33-25)32-23(38)19-21(27)31-22(28)20(26)30-19;26-20-22(28)31-21(27)19(30-20)23(37)32-24-29-14-25(33-24)9-11-35(12-10-25)18(36)8-4-7-16-13-17(34-38-16)15-5-2-1-3-6-15;25-19-21(28)31-20(27)18(30-19)22(38)32-23-29-12-24(33-23)6-9-34(10-7-24)16(36)3-4-17(37)35-8-5-13-11-14(26)1-2-15(13)35;1-14-2-4-16(5-3-14)39(37,38)34-9-6-15(12-34)22(36)33-10-7-24(8-11-33)13-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;24-13-3-1-12(2-4-13)20-29-14(38-34-20)5-6-15(36)35-9-7-23(8-10-35)11-28-22(33-23)32-21(37)16-18(26)31-19(27)17(25)30-16;24-18-20(26)29-19(25)17(28-18)21(36)30-22-27-12-23(31-22)8-10-34(11-9-23)16(35)7-3-6-15-13-4-1-2-5-14(13)32-33-15/h1-4,9,11H,5-8,10,12H2,(H4,29,30,33)(H2,31,34,35,39);5-8H,2-4,9-13H2,1H3,(H4,27,28,32)(H2,29,33,34,38);2-3,12H,4-11,13H2,1H3,(H4,27,28,31)(H2,29,32,33,38);1-3,5-6,13H,4,7-12,14H2,(H4,27,28,31)(H2,29,32,33,37);1-2,11H,3-10,12H2,(H4,27,28,31)(H2,29,32,33,38);2-6,9,12H,7-8,10-11,13H2,1H3,(H4,26,27,30)(H2,28,31,32,35);1-4H,5-11H2,(H4,26,27,31)(H2,28,32,33,37);1-2,4-5H,3,6-12H2,(H,32,33)(H4,25,26,29)(H2,27,30,31,36).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 4469.56 g/mol, XLogP of 9.50, 40 rotatable bonds, 33 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[(3,4-difluorophenyl)methyl]-6-oxopyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-fluoro-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2H-indazol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenyl-1,2-oxazol-5-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 161460991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).