2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide

C125H153Cl5FN47O14 — CID 160951484

About 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(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-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 160951484) has the molecular formula C125H153Cl5FN47O14 and a molecular weight of 2734.18 g/mol. Its IUPAC name is 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(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-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
• PubChem CID: 160951484
• Molecular Formula: C125H153Cl5FN47O14
• Molecular Weight: 2734.18 g/mol
• Exact Mass: 2730.11
• IUPAC Name: 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
• SMILES: COc1cc(CCNC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc(OC)c1.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(OCCc5ccc(F)cc5)cc4)CC3)N2)nc1Cl
• InChI: InChI=1S/C29H33ClFN9O3.C27H32ClN9O3.C25H31ClN10O2.C23H30ClN9O4.C21H27ClN10O2/c30-23-25(33)37-24(32)22(36-23)26(41)38-27-35-17-29(39-27)11-14-40(15-12-29)28(42)34-13-9-18-3-7-21(8-4-18)43-16-10-19-1-5-20(31)6-2-19;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;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;1-36-14-9-13(10-15(11-14)37-2)3-6-27-22(35)33-7-4-23(5-8-33)12-28-21(32-23)31-20(34)16-18(25)30-19(26)17(24)29-16;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/h1-8H,9-17H2,(H,34,42)(H4,32,33,37)(H2,35,38,39,41);2-3,6-9H,4-5,10-15H2,1H3,(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);9-11H,3-8,12H2,1-2H3,(H,27,35)(H4,25,26,30)(H2,28,31,32,34);1-2,4,8H,3,5-7,9-12H2,(H,26,34)(H4,23,24,29)(H2,27,30,31,33)
• InChIKey: SVUZCMZEGBMMGT-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 883.85 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 45
• Rotatable Bonds: 29
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2734.18
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	45

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-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(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-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide (CID 160951484) is 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(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-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(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-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide is COc1cc(CCNC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc(OC)c1.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(OCCc5ccc(F)cc5)cc4)CC3)N2)nc1Cl.

What is the InChIKey of 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?

The InChIKey is SVUZCMZEGBMMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClFN9O3.C27H32ClN9O3.C25H31ClN10O2.C23H30ClN9O4.C21H27ClN10O2/c30-23-25(33)37-24(32)22(36-23)26(41)38-27-35-17-29(39-27)11-14-40(15-12-29)28(42)34-13-9-18-3-7-21(8-4-18)43-16-10-19-1-5-20(31)6-2-19;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;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;1-36-14-9-13(10-15(11-14)37-2)3-6-27-22(35)33-7-4-23(5-8-33)12-28-21(32-23)31-20(34)16-18(25)30-19(26)17(24)29-16;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/h1-8H,9-17H2,(H,34,42)(H4,32,33,37)(H2,35,38,39,41);2-3,6-9H,4-5,10-15H2,1H3,(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);9-11H,3-8,12H2,1-2H3,(H,27,35)(H4,25,26,30)(H2,28,31,32,34);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-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(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-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 2734.18 g/mol, XLogP of 8.06, 29 rotatable bonds, 26 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[2-(3,5-dimethoxyphenyl)ethyl]-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-[2-[4-[2-(4-fluorophenyl)ethoxy]phenyl]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-(3-pyridin-2-ylpropyl)-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 160951484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).