2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide

C131H158Cl5N47O13 — CID 162258093

About 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide

2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 162258093) has the molecular formula C131H158Cl5N47O13 and a molecular weight of 2776.29 g/mol. Its IUPAC name is 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

• Compound Name: 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
• PubChem CID: 162258093
• Molecular Formula: C131H158Cl5N47O13
• Molecular Weight: 2776.29 g/mol
• Exact Mass: 2772.16
• IUPAC Name: 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
• SMILES: COc1ccc(CCCNC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c2ccccc12.Cc1cc(C)c2c(CCNC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c[nH]c2c1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCCCc4ccccn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCCc4ccc(OCCCCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCCc4ccc(Oc5ccccc5)cc4)CC3)N2)nc1Cl
• InChI: InChI=1S/C31H38ClN9O3.C27H32ClN9O3.C27H30ClN9O3.C25H31ClN10O2.C21H27ClN10O2/c32-25-27(34)38-26(33)24(37-25)28(42)39-29-36-20-31(40-29)14-17-41(18-15-31)30(43)35-16-13-22-9-11-23(12-10-22)44-19-5-4-8-21-6-2-1-3-7-21;1-40-19-9-8-16(17-6-2-3-7-18(17)19)5-4-12-31-26(39)37-13-10-27(11-14-37)15-32-25(36-27)35-24(38)20-22(29)34-23(30)21(28)33-20;28-21-23(30)34-22(29)20(33-21)24(38)35-25-32-16-27(36-25)11-14-37(15-12-27)26(39)31-13-10-17-6-8-19(9-7-17)40-18-4-2-1-3-5-18;1-13-9-14(2)17-15(11-30-16(17)10-13)3-6-29-24(38)36-7-4-25(5-8-36)12-31-23(35-25)34-22(37)18-20(27)33-21(28)19(26)32-18;22-15-17(24)29-16(23)14(28-15)18(33)30-19-27-12-21(31-19)6-10-32(11-7-21)20(34)26-9-3-5-13-4-1-2-8-25-13/h1-3,6-7,9-12H,4-5,8,13-20H2,(H,35,43)(H4,33,34,38)(H2,36,39,40,42);2-3,6-9H,4-5,10-15H2,1H3,(H,31,39)(H4,29,30,34)(H2,32,35,36,38);1-9H,10-16H2,(H,31,39)(H4,29,30,34)(H2,32,35,36,38);9-11,30H,3-8,12H2,1-2H3,(H,29,38)(H4,27,28,33)(H2,31,34,35,37);1-2,4,8H,3,5-7,9-12H2,(H,26,34)(H4,23,24,29)(H2,27,30,31,33)
• InChIKey: ZYWBZVOFOGXQJM-UHFFFAOYSA-N
• XLogP: 10.48
• TPSA: 874.62 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 44
• Rotatable Bonds: 31
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2776.29
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?

The IUPAC name of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide (CID 162258093) is 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide.

What is the SMILES notation for 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?

The canonical SMILES for 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide is COc1ccc(CCCNC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c2ccccc12.Cc1cc(C)c2c(CCNC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c[nH]c2c1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCCCc4ccccn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCCc4ccc(OCCCCc5ccccc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCCc4ccc(Oc5ccccc5)cc4)CC3)N2)nc1Cl.

What is the InChIKey of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?

The InChIKey is ZYWBZVOFOGXQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38ClN9O3.C27H32ClN9O3.C27H30ClN9O3.C25H31ClN10O2.C21H27ClN10O2/c32-25-27(34)38-26(33)24(37-25)28(42)39-29-36-20-31(40-29)14-17-41(18-15-31)30(43)35-16-13-22-9-11-23(12-10-22)44-19-5-4-8-21-6-2-1-3-7-21;1-40-19-9-8-16(17-6-2-3-7-18(17)19)5-4-12-31-26(39)37-13-10-27(11-14-37)15-32-25(36-27)35-24(38)20-22(29)34-23(30)21(28)33-20;28-21-23(30)34-22(29)20(33-21)24(38)35-25-32-16-27(36-25)11-14-37(15-12-27)26(39)31-13-10-17-6-8-19(9-7-17)40-18-4-2-1-3-5-18;1-13-9-14(2)17-15(11-30-16(17)10-13)3-6-29-24(38)36-7-4-25(5-8-36)12-31-23(35-25)34-22(37)18-20(27)33-21(28)19(26)32-18;22-15-17(24)29-16(23)14(28-15)18(33)30-19-27-12-21(31-19)6-10-32(11-7-21)20(34)26-9-3-5-13-4-1-2-8-25-13/h1-3,6-7,9-12H,4-5,8,13-20H2,(H,35,43)(H4,33,34,38)(H2,36,39,40,42);2-3,6-9H,4-5,10-15H2,1H3,(H,31,39)(H4,29,30,34)(H2,32,35,36,38);1-9H,10-16H2,(H,31,39)(H4,29,30,34)(H2,32,35,36,38);9-11,30H,3-8,12H2,1-2H3,(H,29,38)(H4,27,28,33)(H2,31,34,35,37);1-2,4,8H,3,5-7,9-12H2,(H,26,34)(H4,23,24,29)(H2,27,30,31,33).

What are the key properties of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?

2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 2776.29 g/mol, XLogP of 10.48, 31 rotatable bonds, 26 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(4-methoxynaphthalen-1-yl)propyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(4-phenoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-[4-(4-phenylbutoxy)phenyl]ethyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 162258093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).