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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one

C103H125Cl4N41O12S — CID 160719754

About 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one

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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one (PubChem CID 160719754) has the molecular formula C103H125Cl4N41O12S and a molecular weight of 2303.29 g/mol. Its IUPAC name is 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one.

Molecular Properties

• Compound Name: 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one
• PubChem CID: 160719754
• Molecular Formula: C103H125Cl4N41O12S
• Molecular Weight: 2303.29 g/mol
• Exact Mass: 2299.89
• IUPAC Name: 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one
• SMILES: 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(NCc1nc(Cl)c(N)nc1N)C3)C2.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)CCCn4c(=O)n(-c5cccnc5)c5ccccc54)CC3)N2)nc1Cl
• InChI: InChI=1S/C28H30ClN11O3.C26H33ClN10O5S.C25H34ClN11O.C24H28ClN9O3/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;1-36(2)24-20-16(31-14-32-24)10-15(33-20)4-3-5-19(38)37-8-6-25(7-9-37)11-18(30-13-25)29-12-17-22(27)35-23(28)21(26)34-17;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/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);14H,3-13H2,1-2H3,(H,29,30)(H4,27,28,35);1-2,4,6,14H,3,5,7-12H2,(H,29,36)(H4,26,27,31)(H2,28,32,33,37)
• InChIKey: RSYGKSHAGHRSLL-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 745.37 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 43
• Rotatable Bonds: 24
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2303.29
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one?

The IUPAC name of 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one (CID 160719754) is 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one.

What is the SMILES notation for 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one?

The canonical SMILES for 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one 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(NCc1nc(Cl)c(N)nc1N)C3)C2.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)CCCn4c(=O)n(-c5cccnc5)c5ccccc54)CC3)N2)nc1Cl.

What is the InChIKey of 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one?

The InChIKey is RSYGKSHAGHRSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN11O3.C26H33ClN10O5S.C25H34ClN11O.C24H28ClN9O3/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;1-36(2)24-20-16(31-14-32-24)10-15(33-20)4-3-5-19(38)37-8-6-25(7-9-37)11-18(30-13-25)29-12-17-22(27)35-23(28)21(26)34-17;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/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);14H,3-13H2,1-2H3,(H,29,30)(H4,27,28,35);1-2,4,6,14H,3,5,7-12H2,(H,29,36)(H4,26,27,31)(H2,28,32,33,37).

What are the key properties of 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one?

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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one has a molecular weight of 2303.29 g/mol, XLogP of 4.69, 24 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(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;1-[3-[(3,5-diamino-6-chloropyrazin-2-yl)methylamino]-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4-[4-(dimethylamino)-7H-pyrrolo[3,2-d]pyrimidin-6-yl]butan-1-one is sourced from PubChem (CID 160719754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).