3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C174H206Cl7N69O22S3 — CID 162053003

IUPAC3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.CN(C)c1ncnc2c1N=C(CCCC(=O)N1CCC3(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N3)C2.CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCCc2nc4ccccc4s2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCC4C(=O)Nc5ccccc54)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)CCCn4c(=O)n(-c5cccnc5)c5ccccc54)CC3)N2)nc1Cl
InChIInChI=1S/C28H30ClN11O3.C26H33ClN10O5S.C25H30ClN9O5S.C24H31ClN12O2.C24H28ClN9O3.C24H27ClN8O2S.C23H27ClN10O2/c29-22-24(31)35-23(30)21(34-22)25(42)36-26-33-16-28(37-26)9-13-38(14-10-28)20(41)8-4-12-39-18-6-1-2-7-19(18)40(27(39)43)17-5-3-11-32-15-17;1-35(2)43(41,42)16-3-4-17-15(13-16)7-10-37(17)19(39)6-5-18(38)36-11-8-26(9-12-36)14-30-25(34-26)33-24(40)20-22(28)32-23(29)21(27)31-20;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;1-36(2)21-16-14(29-12-30-21)10-13(31-16)4-3-5-15(38)37-8-6-24(7-9-37)11-28-23(35-24)34-22(39)17-19(26)33-20(27)18(25)32-17;25-18-20(27)31-19(26)17(30-18)22(37)32-23-28-12-24(33-23)8-10-34(11-9-24)16(35)7-3-5-14-13-4-1-2-6-15(13)29-21(14)36;25-20-22(27)31-21(26)19(30-20)23(35)29-16-8-9-24(32-16)10-12-33(13-11-24)18(34)7-3-6-17-28-14-4-1-2-5-15(14)36-17;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/h1-3,5-7,11,15H,4,8-10,12-14,16H2,(H4,30,31,35)(H2,33,36,37,42);3-4,13H,5-12,14H2,1-2H3,(H4,28,29,32)(H2,30,33,34,40);2-3,12H,4-11,13H2,1H3,(H4,27,28,31)(H2,29,32,33,38);12H,3-11H2,1-2H3,(H4,26,27,33)(H2,28,34,35,39);1-2,4,6,14H,3,5,7-12H2,(H,29,36)(H4,26,27,31)(H2,28,32,33,37);1-2,4-5H,3,6-13H2,(H4,26,27,31)(H,29,32,35);1-2,4-5H,3,6-12H2,(H,32,33)(H4,25,26,29)(H2,27,30,31,36)
InChIKeyYYUJEMRKRUUOPL-UHFFFAOYSA-N
MW3960.39 g/mol
LogP7.81
Rot. Bonds38

About 3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 162053003) has the molecular formula C174H206Cl7N69O22S3 and a molecular weight of 3960.39 g/mol. Its IUPAC name is 3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
PubChem CID162053003
Molecular FormulaC174H206Cl7N69O22S3
Molecular Weight3960.39 g/mol
Exact Mass3954.41
IUPAC Name3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.CN(C)c1ncnc2c1N=C(CCCC(=O)N1CCC3(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N3)C2.CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCCc2nc4ccccc4s2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCC4C(=O)Nc5ccccc54)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)CCCn4c(=O)n(-c5cccnc5)c5ccccc54)CC3)N2)nc1Cl
InChIInChI=1S/C28H30ClN11O3.C26H33ClN10O5S.C25H30ClN9O5S.C24H31ClN12O2.C24H28ClN9O3.C24H27ClN8O2S.C23H27ClN10O2/c29-22-24(31)35-23(30)21(34-22)25(42)36-26-33-16-28(37-26)9-13-38(14-10-28)20(41)8-4-12-39-18-6-1-2-7-19(18)40(27(39)43)17-5-3-11-32-15-17;1-35(2)43(41,42)16-3-4-17-15(13-16)7-10-37(17)19(39)6-5-18(38)36-11-8-26(9-12-36)14-30-25(34-26)33-24(40)20-22(28)32-23(29)21(27)31-20;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;1-36(2)21-16-14(29-12-30-21)10-13(31-16)4-3-5-15(38)37-8-6-24(7-9-37)11-28-23(35-24)34-22(39)17-19(26)33-20(27)18(25)32-17;25-18-20(27)31-19(26)17(30-18)22(37)32-23-28-12-24(33-23)8-10-34(11-9-24)16(35)7-3-5-14-13-4-1-2-6-15(13)29-21(14)36;25-20-22(27)31-21(26)19(30-20)23(35)29-16-8-9-24(32-16)10-12-33(13-11-24)18(34)7-3-6-17-28-14-4-1-2-5-15(14)36-17;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/h1-3,5-7,11,15H,4,8-10,12-14,16H2,(H4,30,31,35)(H2,33,36,37,42);3-4,13H,5-12,14H2,1-2H3,(H4,28,29,32)(H2,30,33,34,40);2-3,12H,4-11,13H2,1H3,(H4,27,28,31)(H2,29,32,33,38);12H,3-11H2,1-2H3,(H4,26,27,33)(H2,28,34,35,39);1-2,4,6,14H,3,5,7-12H2,(H,29,36)(H4,26,27,31)(H2,28,32,33,37);1-2,4-5H,3,6-13H2,(H4,26,27,31)(H,29,32,35);1-2,4-5H,3,6-12H2,(H,32,33)(H4,25,26,29)(H2,27,30,31,36)
InChIKeyYYUJEMRKRUUOPL-UHFFFAOYSA-N
XLogP7.81
TPSA1313.32 Ų
H-Bond Donors29
H-Bond Acceptors73
Rotatable Bonds38
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003960.39
LogP ≤ 57.81
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1073

Analyze 3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 162053003) is 3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-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-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.CN(C)c1ncnc2c1N=C(CCCC(=O)N1CCC3(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N3)C2.CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCCc2nc4ccccc4s2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCC4C(=O)Nc5ccccc54)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)CCCn4c(=O)n(-c5cccnc5)c5ccccc54)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is YYUJEMRKRUUOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN11O3.C26H33ClN10O5S.C25H30ClN9O5S.C24H31ClN12O2.C24H28ClN9O3.C24H27ClN8O2S.C23H27ClN10O2/c29-22-24(31)35-23(30)21(34-22)25(42)36-26-33-16-28(37-26)9-13-38(14-10-28)20(41)8-4-12-39-18-6-1-2-7-19(18)40(27(39)43)17-5-3-11-32-15-17;1-35(2)43(41,42)16-3-4-17-15(13-16)7-10-37(17)19(39)6-5-18(38)36-11-8-26(9-12-36)14-30-25(34-26)33-24(40)20-22(28)32-23(29)21(27)31-20;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;1-36(2)21-16-14(29-12-30-21)10-13(31-16)4-3-5-15(38)37-8-6-24(7-9-37)11-28-23(35-24)34-22(39)17-19(26)33-20(27)18(25)32-17;25-18-20(27)31-19(26)17(30-18)22(37)32-23-28-12-24(33-23)8-10-34(11-9-24)16(35)7-3-5-14-13-4-1-2-6-15(13)29-21(14)36;25-20-22(27)31-21(26)19(30-20)23(35)29-16-8-9-24(32-16)10-12-33(13-11-24)18(34)7-3-6-17-28-14-4-1-2-5-15(14)36-17;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/h1-3,5-7,11,15H,4,8-10,12-14,16H2,(H4,30,31,35)(H2,33,36,37,42);3-4,13H,5-12,14H2,1-2H3,(H4,28,29,32)(H2,30,33,34,40);2-3,12H,4-11,13H2,1H3,(H4,27,28,31)(H2,29,32,33,38);12H,3-11H2,1-2H3,(H4,26,27,33)(H2,28,34,35,39);1-2,4,6,14H,3,5,7-12H2,(H,29,36)(H4,26,27,31)(H2,28,32,33,37);1-2,4-5H,3,6-13H2,(H4,26,27,31)(H,29,32,35);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-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 3960.39 g/mol, XLogP of 7.81, 38 rotatable bonds, 29 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[8-[4-(1,3-benzothiazol-2-yl)butanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[5-(dimethylsulfamoyl)-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-(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-(2-oxo-1,3-dihydroindol-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-(2-oxo-3-pyridin-3-ylbenzimidazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 162053003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).