3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate

C105H126Cl4N36O16 — CID 157246093

About 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate

3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate (PubChem CID 157246093) has the molecular formula C105H126Cl4N36O16 and a molecular weight of 2290.21 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate.

Molecular Properties

• Compound Name: 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate
• PubChem CID: 157246093
• Molecular Formula: C105H126Cl4N36O16
• Molecular Weight: 2290.21 g/mol
• Exact Mass: 2286.89
• IUPAC Name: 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate
• SMILES: COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cccc21.Cc1c(C)n(CCO)c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc12.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc5c4ccn5CCC4OCCCO4)CC3)N2)nc1Cl
• InChI: InChI=1S/C27H34ClN9O5.C27H32ClN9O4.C26H30ClN9O4.C25H30ClN9O3/c1-40-13-14-42-16-41-12-11-36-8-5-17-18(3-2-4-19(17)36)25(39)37-9-6-27(7-10-37)15-31-26(35-27)34-24(38)20-22(29)33-23(30)21(28)32-20;28-21-23(30)33-22(29)20(32-21)24(38)34-26-31-15-27(35-26)7-11-37(12-8-27)25(39)17-3-1-4-18-16(17)5-9-36(18)10-6-19-40-13-2-14-41-19;1-40-18(37)6-3-10-35-11-7-15-16(4-2-5-17(15)35)24(39)36-12-8-26(9-13-36)14-30-25(34-26)33-23(38)19-21(28)32-22(29)20(27)31-19;1-13-14(2)35(9-10-36)17-4-3-15(11-16(13)17)23(38)34-7-5-25(6-8-34)12-29-24(33-25)32-22(37)18-20(27)31-21(28)19(26)30-18/h2-5,8H,6-7,9-16H2,1H3,(H4,29,30,33)(H2,31,34,35,38);1,3-5,9,19H,2,6-8,10-15H2,(H4,29,30,33)(H2,31,34,35,38);2,4-5,7,11H,3,6,8-10,12-14H2,1H3,(H4,28,29,32)(H2,30,33,34,38);3-4,11,36H,5-10,12H2,1-2H3,(H4,27,28,31)(H2,29,32,33,37)
• InChIKey: AVTZYSKIGNWLEM-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 718.88 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 44
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2290.21
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate?

The IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate (CID 157246093) is 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate.

What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate?

The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate is COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cccc21.Cc1c(C)n(CCO)c2ccc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cc12.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4cccc5c4ccn5CCC4OCCCO4)CC3)N2)nc1Cl.

What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate?

The InChIKey is AVTZYSKIGNWLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN9O5.C27H32ClN9O4.C26H30ClN9O4.C25H30ClN9O3/c1-40-13-14-42-16-41-12-11-36-8-5-17-18(3-2-4-19(17)36)25(39)37-9-6-27(7-10-37)15-31-26(35-27)34-24(38)20-22(29)33-23(30)21(28)32-20;28-21-23(30)33-22(29)20(32-21)24(38)34-26-31-15-27(35-26)7-11-37(12-8-27)25(39)17-3-1-4-18-16(17)5-9-36(18)10-6-19-40-13-2-14-41-19;1-40-18(37)6-3-10-35-11-7-15-16(4-2-5-17(15)35)24(39)36-12-8-26(9-13-36)14-30-25(34-26)33-23(38)19-21(28)32-22(29)20(27)31-19;1-13-14(2)35(9-10-36)17-4-3-15(11-16(13)17)23(38)34-7-5-25(6-8-34)12-29-24(33-25)32-22(37)18-20(27)31-21(28)19(26)30-18/h2-5,8H,6-7,9-16H2,1H3,(H4,29,30,33)(H2,31,34,35,38);1,3-5,9,19H,2,6-8,10-15H2,(H4,29,30,33)(H2,31,34,35,38);2,4-5,7,11H,3,6,8-10,12-14H2,1H3,(H4,28,29,32)(H2,30,33,34,38);3-4,11,36H,5-10,12H2,1-2H3,(H4,27,28,31)(H2,29,32,33,37).

What are the key properties of 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate?

3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate has a molecular weight of 2290.21 g/mol, XLogP of 5.80, 25 rotatable bonds, 17 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diamino-6-chloro-N-[8-[1-[2-(1,3-dioxan-2-yl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-hydroxyethyl)-2,3-dimethylindole-5-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]indol-1-yl]butanoate is sourced from PubChem (CID 157246093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).