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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide

C129H157Cl5FN47O15 — CID 157152005

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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 157152005) has the molecular formula C129H157Cl5FN47O15 and a molecular weight of 2802.25 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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
• PubChem CID: 157152005
• Molecular Formula: C129H157Cl5FN47O15
• Molecular Weight: 2802.25 g/mol
• Exact Mass: 2798.14
• 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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-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.Cc1cc2[nH]cc(CCNC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2cc1C.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCCc4ccc(OCCc5ccc(F)cc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCc4ccc(CN5CCOCC5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCc4cccc(OCc5ccccc5)c4)CC3)N2)nc1Cl
• InChI: InChI=1S/C29H33ClFN9O3.C27H30ClN9O3.C25H33ClN10O3.C25H31ClN10O2.C23H30ClN9O4/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;28-21-23(30)34-22(29)20(33-21)24(38)35-25-32-16-27(36-25)9-11-37(12-10-27)26(39)31-14-18-7-4-8-19(13-18)40-15-17-5-2-1-3-6-17;26-19-21(28)32-20(27)18(31-19)22(37)33-23-30-15-25(34-23)5-7-36(8-6-25)24(38)29-13-16-1-3-17(4-2-16)14-35-9-11-39-12-10-35;1-13-9-16-15(11-30-17(16)10-14(13)2)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/h1-8H,9-17H2,(H,34,42)(H4,32,33,37)(H2,35,38,39,41);1-8,13H,9-12,14-16H2,(H,31,39)(H4,29,30,34)(H2,32,35,36,38);1-4H,5-15H2,(H,29,38)(H4,27,28,32)(H2,30,33,34,37);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)
• InChIKey: ALJBUOFGQOGOGJ-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 883.43 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 46
• Rotatable Bonds: 29
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2802.25
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	46

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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide (CID 157152005) 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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-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.Cc1cc2[nH]cc(CCNC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2cc1C.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCCc4ccc(OCCc5ccc(F)cc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCc4ccc(CN5CCOCC5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCc4cccc(OCc5ccccc5)c4)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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?

The InChIKey is ALJBUOFGQOGOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClFN9O3.C27H30ClN9O3.C25H33ClN10O3.C25H31ClN10O2.C23H30ClN9O4/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;28-21-23(30)34-22(29)20(33-21)24(38)35-25-32-16-27(36-25)9-11-37(12-10-27)26(39)31-14-18-7-4-8-19(13-18)40-15-17-5-2-1-3-6-17;26-19-21(28)32-20(27)18(31-19)22(37)33-23-30-15-25(34-23)5-7-36(8-6-25)24(38)29-13-16-1-3-17(4-2-16)14-35-9-11-39-12-10-35;1-13-9-16-15(11-30-17(16)10-14(13)2)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/h1-8H,9-17H2,(H,34,42)(H4,32,33,37)(H2,35,38,39,41);1-8,13H,9-12,14-16H2,(H,31,39)(H4,29,30,34)(H2,32,35,36,38);1-4H,5-15H2,(H,29,38)(H4,27,28,32)(H2,30,33,34,37);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).

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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 2802.25 g/mol, XLogP of 8.05, 29 rotatable bonds, 26 hydrogen bond donors, and 46 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-(5,6-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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[(3-phenylmethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 157152005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).