3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one

C119H149Cl5F3N49O19S3 — CID 158929200

IUPAC3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCCN(CC)S(=O)(=O)NCC1CCC(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)CC1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc2)n1.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCn4cc(C(F)(F)F)ccc4=O)CC3)N2)nc1Cl
InChIInChI=1S/C28H33ClN12O5S.C24H39ClN10O4S.C24H27ClN8O2.C22H27ClN10O5S.C21H23ClF3N9O3/c1-15-13-16(2)34-27(33-15)40-47(45,46)18-5-3-17(4-6-18)35-19(42)7-8-20(43)41-11-9-28(10-12-41)14-32-26(39-28)38-25(44)21-23(30)37-24(31)22(29)36-21;1-3-35(4-2)40(38,39)29-13-15-5-7-16(8-6-15)22(37)34-11-9-24(10-12-34)14-28-23(33-24)32-21(36)17-19(26)31-20(27)18(25)30-17;25-21-23(27)31-22(26)20(30-21)17(34)11-18-29-13-24(32-18)7-9-33(10-8-24)19(35)6-5-14-12-28-16-4-2-1-3-15(14)16;23-17-19(25)30-18(24)16(29-17)20(36)31-21-27-11-22(32-21)7-9-33(10-8-22)15(35)6-5-14(34)28-12-1-3-13(4-2-12)39(26,37)38;22-15-17(27)30-16(26)14(29-15)18(37)31-19-28-10-20(32-19)4-7-33(8-5-20)13(36)3-6-34-9-11(21(23,24)25)1-2-12(34)35/h3-6,13H,7-12,14H2,1-2H3,(H,35,42)(H4,30,31,37)(H,33,34,40)(H2,32,38,39,44);15-16,29H,3-14H2,1-2H3,(H4,26,27,31)(H2,28,32,33,36);1-4,11-12,28-29,32H,5-10,13H2,(H4,26,27,31);1-4H,5-11H2,(H,28,34)(H4,24,25,30)(H2,26,37,38)(H2,27,31,32,36);1-2,9H,3-8,10H2,(H4,26,27,30)(H2,28,31,32,37)/b;;18-11+;;
InChIKeyJIVDYEQCBDRHMP-UZFITIDNSA-N
MW2900.28 g/mol
LogP3.31
Rot. Bonds31

About 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one

3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 158929200) has the molecular formula C119H149Cl5F3N49O19S3 and a molecular weight of 2900.28 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID158929200
Molecular FormulaC119H149Cl5F3N49O19S3
Molecular Weight2900.28 g/mol
Exact Mass2895.98
IUPAC Name3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESCCN(CC)S(=O)(=O)NCC1CCC(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)CC1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc2)n1.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCn4cc(C(F)(F)F)ccc4=O)CC3)N2)nc1Cl
InChIInChI=1S/C28H33ClN12O5S.C24H39ClN10O4S.C24H27ClN8O2.C22H27ClN10O5S.C21H23ClF3N9O3/c1-15-13-16(2)34-27(33-15)40-47(45,46)18-5-3-17(4-6-18)35-19(42)7-8-20(43)41-11-9-28(10-12-41)14-32-26(39-28)38-25(44)21-23(30)37-24(31)22(29)36-21;1-3-35(4-2)40(38,39)29-13-15-5-7-16(8-6-15)22(37)34-11-9-24(10-12-34)14-28-23(33-24)32-21(36)17-19(26)31-20(27)18(25)30-17;25-21-23(27)31-22(26)20(30-21)17(34)11-18-29-13-24(32-18)7-9-33(10-8-24)19(35)6-5-14-12-28-16-4-2-1-3-15(14)16;23-17-19(25)30-18(24)16(29-17)20(36)31-21-27-11-22(32-21)7-9-33(10-8-22)15(35)6-5-14(34)28-12-1-3-13(4-2-12)39(26,37)38;22-15-17(27)30-16(26)14(29-15)18(37)31-19-28-10-20(32-19)4-7-33(8-5-20)13(36)3-6-34-9-11(21(23,24)25)1-2-12(34)35/h3-6,13H,7-12,14H2,1-2H3,(H,35,42)(H4,30,31,37)(H,33,34,40)(H2,32,38,39,44);15-16,29H,3-14H2,1-2H3,(H4,26,27,31)(H2,28,32,33,36);1-4,11-12,28-29,32H,5-10,13H2,(H4,26,27,31);1-4H,5-11H2,(H,28,34)(H4,24,25,30)(H2,26,37,38)(H2,27,31,32,36);1-2,9H,3-8,10H2,(H4,26,27,30)(H2,28,31,32,37)/b;;18-11+;;
InChIKeyJIVDYEQCBDRHMP-UZFITIDNSA-N
XLogP3.31
TPSA1023.25 Ų
H-Bond Donors26
H-Bond Acceptors52
Rotatable Bonds31
Heavy Atoms198
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002900.28
LogP ≤ 53.31
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one (CID 158929200) is 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one is CCN(CC)S(=O)(=O)NCC1CCC(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)CC1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc2)n1.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)Nc4ccc(S(N)(=O)=O)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCn4cc(C(F)(F)F)ccc4=O)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is JIVDYEQCBDRHMP-UZFITIDNSA-N. The full InChI is InChI=1S/C28H33ClN12O5S.C24H39ClN10O4S.C24H27ClN8O2.C22H27ClN10O5S.C21H23ClF3N9O3/c1-15-13-16(2)34-27(33-15)40-47(45,46)18-5-3-17(4-6-18)35-19(42)7-8-20(43)41-11-9-28(10-12-41)14-32-26(39-28)38-25(44)21-23(30)37-24(31)22(29)36-21;1-3-35(4-2)40(38,39)29-13-15-5-7-16(8-6-15)22(37)34-11-9-24(10-12-34)14-28-23(33-24)32-21(36)17-19(26)31-20(27)18(25)30-17;25-21-23(27)31-22(26)20(30-21)17(34)11-18-29-13-24(32-18)7-9-33(10-8-24)19(35)6-5-14-12-28-16-4-2-1-3-15(14)16;23-17-19(25)30-18(24)16(29-17)20(36)31-21-27-11-22(32-21)7-9-33(10-8-22)15(35)6-5-14(34)28-12-1-3-13(4-2-12)39(26,37)38;22-15-17(27)30-16(26)14(29-15)18(37)31-19-28-10-20(32-19)4-7-33(8-5-20)13(36)3-6-34-9-11(21(23,24)25)1-2-12(34)35/h3-6,13H,7-12,14H2,1-2H3,(H,35,42)(H4,30,31,37)(H,33,34,40)(H2,32,38,39,44);15-16,29H,3-14H2,1-2H3,(H4,26,27,31)(H2,28,32,33,36);1-4,11-12,28-29,32H,5-10,13H2,(H4,26,27,31);1-4H,5-11H2,(H,28,34)(H4,24,25,30)(H2,26,37,38)(H2,27,31,32,36);1-2,9H,3-8,10H2,(H4,26,27,30)(H2,28,31,32,37)/b;;18-11+;;.
What are the key properties of 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one?
3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 2900.28 g/mol, XLogP of 3.31, 31 rotatable bonds, 26 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-(4-sulfamoylanilino)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;1-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 158929200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).