3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one

C124H154Cl5F3N44O19S3 — CID 157196930

IUPAC3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one
SMILESCCN(CC)S(=O)(=O)NCC1CCC(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)CC1.Cc1cc(C)nc(CS(=O)(=O)c2ccc(NC(=O)CCC(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cc2)n1.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)CCC4=CCc5ccccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)Cc4ccc(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/C30H35ClN10O5S.C25H40ClN9O4S.C25H28ClN7O2.C23H28ClN9O5S.C21H23ClF3N9O3/c1-17-15-18(2)35-22(34-17)16-47(45,46)20-5-3-19(4-6-20)36-23(42)7-8-24(43)41-13-11-30(12-14-41)10-9-21(40-30)37-29(44)25-27(32)39-28(33)26(31)38-25;1-3-35(4-2)40(38,39)29-15-16-5-7-17(8-6-16)24(37)34-13-11-25(12-14-34)10-9-18(33-25)30-23(36)19-21(27)32-22(28)20(26)31-19;26-22-24(28)31-23(27)21(30-22)18(34)13-19-29-14-25(32-19)9-11-33(12-10-25)20(35)8-7-16-6-5-15-3-1-2-4-17(15)16;24-18-20(26)30-19(25)17(29-18)21(36)31-22-28-12-23(32-22)7-9-33(10-8-23)16(35)6-3-14(34)11-13-1-4-15(5-2-13)39(27,37)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/h3-6,15H,7-14,16H2,1-2H3,(H,36,42)(H4,32,33,39)(H,37,40,44);16-17,29H,3-15H2,1-2H3,(H4,27,28,32)(H,30,33,36);1-4,6,13,29,32H,5,7-12,14H2,(H4,27,28,31);1-2,4-5H,3,6-12H2,(H4,25,26,30)(H2,27,37,38)(H2,28,31,32,36);1-2,9H,3-8,10H2,(H4,26,27,30)(H2,28,31,32,37)/b;;19-13+;;
InChIKeyAQIWMCSINXIKOO-OISDAMJWSA-N
MW2895.34 g/mol
LogP6.43
Rot. Bonds32

About 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one

3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one (PubChem CID 157196930) has the molecular formula C124H154Cl5F3N44O19S3 and a molecular weight of 2895.34 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one
PubChem CID157196930
Molecular FormulaC124H154Cl5F3N44O19S3
Molecular Weight2895.34 g/mol
Exact Mass2891.00
IUPAC Name3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one
SMILESCCN(CC)S(=O)(=O)NCC1CCC(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)CC1.Cc1cc(C)nc(CS(=O)(=O)c2ccc(NC(=O)CCC(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cc2)n1.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)CCC4=CCc5ccccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)Cc4ccc(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/C30H35ClN10O5S.C25H40ClN9O4S.C25H28ClN7O2.C23H28ClN9O5S.C21H23ClF3N9O3/c1-17-15-18(2)35-22(34-17)16-47(45,46)20-5-3-19(4-6-20)36-23(42)7-8-24(43)41-13-11-30(12-14-41)10-9-21(40-30)37-29(44)25-27(32)39-28(33)26(31)38-25;1-3-35(4-2)40(38,39)29-15-16-5-7-17(8-6-16)24(37)34-13-11-25(12-14-34)10-9-18(33-25)30-23(36)19-21(27)32-22(28)20(26)31-19;26-22-24(28)31-23(27)21(30-22)18(34)13-19-29-14-25(32-19)9-11-33(12-10-25)20(35)8-7-16-6-5-15-3-1-2-4-17(15)16;24-18-20(26)30-19(25)17(29-18)21(36)31-22-28-12-23(32-22)7-9-33(10-8-23)16(35)6-3-14(34)11-13-1-4-15(5-2-13)39(27,37)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/h3-6,15H,7-14,16H2,1-2H3,(H,36,42)(H4,32,33,39)(H,37,40,44);16-17,29H,3-15H2,1-2H3,(H4,27,28,32)(H,30,33,36);1-4,6,13,29,32H,5,7-12,14H2,(H4,27,28,31);1-2,4-5H,3,6-12H2,(H4,25,26,30)(H2,27,37,38)(H2,28,31,32,36);1-2,9H,3-8,10H2,(H4,26,27,30)(H2,28,31,32,37)/b;;19-13+;;
InChIKeyAQIWMCSINXIKOO-OISDAMJWSA-N
XLogP6.43
TPSA959.34 Ų
H-Bond Donors21
H-Bond Acceptors50
Rotatable Bonds32
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002895.34
LogP ≤ 56.43
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1050

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]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-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]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one (CID 157196930) is 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one is CCN(CC)S(=O)(=O)NCC1CCC(C(=O)N2CCC3(CCC(NC(=O)c4nc(Cl)c(N)nc4N)=N3)CC2)CC1.Cc1cc(C)nc(CS(=O)(=O)c2ccc(NC(=O)CCC(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cc2)n1.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)CCC4=CCc5ccccc54)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCC(=O)Cc4ccc(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]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one?
The InChIKey is AQIWMCSINXIKOO-OISDAMJWSA-N. The full InChI is InChI=1S/C30H35ClN10O5S.C25H40ClN9O4S.C25H28ClN7O2.C23H28ClN9O5S.C21H23ClF3N9O3/c1-17-15-18(2)35-22(34-17)16-47(45,46)20-5-3-19(4-6-20)36-23(42)7-8-24(43)41-13-11-30(12-14-41)10-9-21(40-30)37-29(44)25-27(32)39-28(33)26(31)38-25;1-3-35(4-2)40(38,39)29-15-16-5-7-17(8-6-16)24(37)34-13-11-25(12-14-34)10-9-18(33-25)30-23(36)19-21(27)32-22(28)20(26)31-19;26-22-24(28)31-23(27)21(30-22)18(34)13-19-29-14-25(32-19)9-11-33(12-10-25)20(35)8-7-16-6-5-15-3-1-2-4-17(15)16;24-18-20(26)30-19(25)17(29-18)21(36)31-22-28-12-23(32-22)7-9-33(10-8-23)16(35)6-3-14(34)11-13-1-4-15(5-2-13)39(27,37)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/h3-6,15H,7-14,16H2,1-2H3,(H,36,42)(H4,32,33,39)(H,37,40,44);16-17,29H,3-15H2,1-2H3,(H4,27,28,32)(H,30,33,36);1-4,6,13,29,32H,5,7-12,14H2,(H4,27,28,31);1-2,4-5H,3,6-12H2,(H4,25,26,30)(H2,27,37,38)(H2,28,31,32,36);1-2,9H,3-8,10H2,(H4,26,27,30)(H2,28,31,32,37)/b;;19-13+;;.
What are the key properties of 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one?
3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one has a molecular weight of 2895.34 g/mol, XLogP of 6.43, 32 rotatable bonds, 21 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[4-[(diethylsulfamoylamino)methyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]anilino]-4-oxobutanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-5-(4-sulfamoylphenyl)pentanoyl]-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-(3H-inden-1-yl)propan-1-one is sourced from PubChem (CID 157196930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).