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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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

C105H126Cl4N38O11 — CID 159150598

About 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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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-(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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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 159150598) has the molecular formula C105H126Cl4N38O11 and a molecular weight of 2238.23 g/mol. Its IUPAC name is 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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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-(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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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: 159150598
• Molecular Formula: C105H126Cl4N38O11
• Molecular Weight: 2238.23 g/mol
• Exact Mass: 2234.92
• IUPAC Name: 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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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: 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)NCCc4cccc(OCc5ccccc5)c4)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/C28H32ClN9O3.C27H30ClN9O3.C25H33ClN10O3.C25H31ClN10O2/c29-22-24(31)35-23(30)21(34-22)25(39)36-26-33-17-28(37-26)10-13-38(14-11-28)27(40)32-12-9-18-7-4-8-20(15-18)41-16-19-5-2-1-3-6-19;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/h1-8,15H,9-14,16-17H2,(H,32,40)(H4,30,31,35)(H2,33,36,37,39);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)
• InChIKey: KJFUAQOGANWOKE-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 701.32 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2238.23
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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-(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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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 159150598) is 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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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-(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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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-(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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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 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)NCCc4cccc(OCc5ccccc5)c4)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-(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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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 KJFUAQOGANWOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN9O3.C27H30ClN9O3.C25H33ClN10O3.C25H31ClN10O2/c29-22-24(31)35-23(30)21(34-22)25(39)36-26-33-17-28(37-26)10-13-38(14-11-28)27(40)32-12-9-18-7-4-8-20(15-18)41-16-19-5-2-1-3-6-19;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/h1-8,15H,9-14,16-17H2,(H,32,40)(H4,30,31,35)(H2,33,36,37,39);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).

What are the key properties of 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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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-(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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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 2238.23 g/mol, XLogP of 7.08, 22 rotatable bonds, 21 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[[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-[2-(3-phenylmethoxyphenyl)ethyl]-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 159150598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).