3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane

C156H174Cl7N53O16 — CID 157274285

IUPAC3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane
SMILESCC.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)c4ccc(C(=O)N5CCC6(CC5)CN=C(NC(=O)c5nc(Cl)c(N)nc5N)N6)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc4c(c2)C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(OCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccc(OCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl
InChIInChI=1S/C33H37Cl2N15O4.C28H31ClN8O3.C27H29ClN8O3.2C23H24ClN7O2.C20H23ClN8O2.C2H6/c34-22-26(38)44-24(36)20(42-22)18(51)13-19-40-14-32(47-19)5-9-49(10-6-32)29(53)16-1-3-17(4-2-16)30(54)50-11-7-33(8-12-50)15-41-31(48-33)46-28(52)21-25(37)45-27(39)23(35)43-21;29-23-25(31)34-24(30)22(33-23)26(39)35-27-32-17-28(36-27)12-14-37(15-13-28)21(38)11-8-18-6-9-20(10-7-18)40-16-19-4-2-1-3-5-19;28-22-24(30)33-23(29)21(32-22)25(38)34-26-31-16-27(35-26)10-12-36(13-11-27)20(37)14-17-6-8-19(9-7-17)39-15-18-4-2-1-3-5-18;24-18-20(26)29-19(25)17(28-18)21(32)27-16-7-8-23(30-16)9-11-31(12-10-23)22(33)15-6-2-4-13-3-1-5-14(13)15;24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;1-2/h1-4,13,40,47H,5-12,14-15H2,(H4,36,38,44)(H4,37,39,45)(H2,41,46,48,52);1-7,9-10H,8,11-17H2,(H4,30,31,34)(H2,32,35,36,39);1-9H,10-16H2,(H4,29,30,33)(H2,31,34,35,38);1-2,4-6H,3,7-12H2,(H4,25,26,29)(H,27,30,32);1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-2H3/b19-13+;;;;;;
InChIKeyAYXGALGLXBTMHB-AJCKWYHBSA-N
MW3295.63 g/mol
LogP11.42
Rot. Bonds25

About 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane

3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane (PubChem CID 157274285) has the molecular formula C156H174Cl7N53O16 and a molecular weight of 3295.63 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane
PubChem CID157274285
Molecular FormulaC156H174Cl7N53O16
Molecular Weight3295.63 g/mol
Exact Mass3290.23
IUPAC Name3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane
SMILESCC.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)c4ccc(C(=O)N5CCC6(CC5)CN=C(NC(=O)c5nc(Cl)c(N)nc5N)N6)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc4c(c2)C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(OCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccc(OCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl
InChIInChI=1S/C33H37Cl2N15O4.C28H31ClN8O3.C27H29ClN8O3.2C23H24ClN7O2.C20H23ClN8O2.C2H6/c34-22-26(38)44-24(36)20(42-22)18(51)13-19-40-14-32(47-19)5-9-49(10-6-32)29(53)16-1-3-17(4-2-16)30(54)50-11-7-33(8-12-50)15-41-31(48-33)46-28(52)21-25(37)45-27(39)23(35)43-21;29-23-25(31)34-24(30)22(33-23)26(39)35-27-32-17-28(36-27)12-14-37(15-13-28)21(38)11-8-18-6-9-20(10-7-18)40-16-19-4-2-1-3-5-19;28-22-24(30)33-23(29)21(32-22)25(38)34-26-31-16-27(35-26)10-12-36(13-11-27)20(37)14-17-6-8-19(9-7-17)39-15-18-4-2-1-3-5-18;24-18-20(26)29-19(25)17(28-18)21(32)27-16-7-8-23(30-16)9-11-31(12-10-23)22(33)15-6-2-4-13-3-1-5-14(13)15;24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;1-2/h1-4,13,40,47H,5-12,14-15H2,(H4,36,38,44)(H4,37,39,45)(H2,41,46,48,52);1-7,9-10H,8,11-17H2,(H4,30,31,34)(H2,32,35,36,39);1-9H,10-16H2,(H4,29,30,33)(H2,31,34,35,38);1-2,4-6H,3,7-12H2,(H4,25,26,29)(H,27,30,32);1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-2H3/b19-13+;;;;;;
InChIKeyAYXGALGLXBTMHB-AJCKWYHBSA-N
XLogP11.42
TPSA1043.38 Ų
H-Bond Donors26
H-Bond Acceptors56
Rotatable Bonds25
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003295.63
LogP ≤ 511.42
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane (CID 157274285) is 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane is CC.Nc1nc(N)c(C(=O)/C=C2\NCC3(CCN(C(=O)c4ccc(C(=O)N5CCC6(CC5)CN=C(NC(=O)c5nc(Cl)c(N)nc5N)N6)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc4c(c2)C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(OCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccc(OCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane?
The InChIKey is AYXGALGLXBTMHB-AJCKWYHBSA-N. The full InChI is InChI=1S/C33H37Cl2N15O4.C28H31ClN8O3.C27H29ClN8O3.2C23H24ClN7O2.C20H23ClN8O2.C2H6/c34-22-26(38)44-24(36)20(42-22)18(51)13-19-40-14-32(47-19)5-9-49(10-6-32)29(53)16-1-3-17(4-2-16)30(54)50-11-7-33(8-12-50)15-41-31(48-33)46-28(52)21-25(37)45-27(39)23(35)43-21;29-23-25(31)34-24(30)22(33-23)26(39)35-27-32-17-28(36-27)12-14-37(15-13-28)21(38)11-8-18-6-9-20(10-7-18)40-16-19-4-2-1-3-5-19;28-22-24(30)33-23(29)21(32-22)25(38)34-26-31-16-27(35-26)10-12-36(13-11-27)20(37)14-17-6-8-19(9-7-17)39-15-18-4-2-1-3-5-18;24-18-20(26)29-19(25)17(28-18)21(32)27-16-7-8-23(30-16)9-11-31(12-10-23)22(33)15-6-2-4-13-3-1-5-14(13)15;24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;1-2/h1-4,13,40,47H,5-12,14-15H2,(H4,36,38,44)(H4,37,39,45)(H2,41,46,48,52);1-7,9-10H,8,11-17H2,(H4,30,31,34)(H2,32,35,36,39);1-9H,10-16H2,(H4,29,30,33)(H2,31,34,35,38);1-2,4-6H,3,7-12H2,(H4,25,26,29)(H,27,30,32);1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-2H3/b19-13+;;;;;;.
What are the key properties of 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane?
3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane has a molecular weight of 3295.63 g/mol, XLogP of 11.42, 25 rotatable bonds, 26 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[4-[(2E)-2-[2-(3,5-diamino-6-chloropyrazin-2-yl)-2-oxoethylidene]-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-phenylmethoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-phenylmethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;ethane is sourced from PubChem (CID 157274285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).