N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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

C130H147Cl8N47O14S — CID 158130903

About N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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

N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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 (PubChem CID 158130903) has the molecular formula C130H147Cl8N47O14S and a molecular weight of 2907.61 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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.

Molecular Properties

• Compound Name: N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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
• PubChem CID: 158130903
• Molecular Formula: C130H147Cl8N47O14S
• Molecular Weight: 2907.61 g/mol
• Exact Mass: 2901.95
• IUPAC Name: N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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
• SMILES: Cc1cc2[nH]cc(CCNC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2cc1C.Cc1ccc(S(=O)(=O)n2ccc3cc(NC(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)ccc32)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCCCc4ccc(Cl)cc4Cl)CC3)N2)nc1Cl.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)NCc4cccc(COc5ccc(Cl)cc5)c4)CC3)N2)nc1Cl
• InChI: InChI=1S/C28H29ClN10O4S.C28H32ClN9O3.C27H29Cl2N9O3.C25H31ClN10O2.C22H26Cl3N9O2/c1-16-2-5-19(6-3-16)44(42,43)39-11-8-17-14-18(4-7-20(17)39)33-27(41)38-12-9-28(10-13-38)15-32-26(37-28)36-25(40)21-23(30)35-24(31)22(29)34-21;29-22-24(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;28-18-4-6-19(7-5-18)41-14-17-3-1-2-16(12-17)13-32-26(40)38-10-8-27(9-11-38)15-33-25(37-27)36-24(39)20-22(30)35-23(31)21(29)34-20;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;23-13-4-3-12(14(24)10-13)2-1-7-28-21(36)34-8-5-22(6-9-34)11-29-20(33-22)32-19(35)15-17(26)31-18(27)16(25)30-15/h2-8,11,14H,9-10,12-13,15H2,1H3,(H,33,41)(H4,30,31,35)(H2,32,36,37,40);1-8,15H,9-14,16-17H2,(H,32,40)(H4,30,31,35)(H2,33,36,37,39);1-7,12H,8-11,13-15H2,(H,32,40)(H4,30,31,35)(H2,33,36,37,39);9-11,30H,3-8,12H2,1-2H3,(H,29,38)(H4,27,28,33)(H2,31,34,35,37);3-4,10H,1-2,5-9,11H2,(H,28,36)(H4,26,27,31)(H2,29,32,33,35)
• InChIKey: FSTKOUNNVAYELD-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 891.57 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 45
• Rotatable Bonds: 26
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2907.61
LogP ≤ 5	12.20
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 N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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?

The IUPAC name of N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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 (CID 158130903) is N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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.

What is the SMILES notation for N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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?

The canonical SMILES for N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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 is Cc1cc2[nH]cc(CCNC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2cc1C.Cc1ccc(S(=O)(=O)n2ccc3cc(NC(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)ccc32)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)NCCCc4ccc(Cl)cc4Cl)CC3)N2)nc1Cl.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)NCc4cccc(COc5ccc(Cl)cc5)c4)CC3)N2)nc1Cl.

What is the InChIKey of N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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?

The InChIKey is FSTKOUNNVAYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN10O4S.C28H32ClN9O3.C27H29Cl2N9O3.C25H31ClN10O2.C22H26Cl3N9O2/c1-16-2-5-19(6-3-16)44(42,43)39-11-8-17-14-18(4-7-20(17)39)33-27(41)38-12-9-28(10-13-38)15-32-26(37-28)36-25(40)21-23(30)35-24(31)22(29)34-21;29-22-24(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;28-18-4-6-19(7-5-18)41-14-17-3-1-2-16(12-17)13-32-26(40)38-10-8-27(9-11-38)15-33-25(37-27)36-24(39)20-22(30)35-23(31)21(29)34-20;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;23-13-4-3-12(14(24)10-13)2-1-7-28-21(36)34-8-5-22(6-9-34)11-29-20(33-22)32-19(35)15-17(26)31-18(27)16(25)30-15/h2-8,11,14H,9-10,12-13,15H2,1H3,(H,33,41)(H4,30,31,35)(H2,32,36,37,40);1-8,15H,9-14,16-17H2,(H,32,40)(H4,30,31,35)(H2,33,36,37,39);1-7,12H,8-11,13-15H2,(H,32,40)(H4,30,31,35)(H2,33,36,37,39);9-11,30H,3-8,12H2,1-2H3,(H,29,38)(H4,27,28,33)(H2,31,34,35,37);3-4,10H,1-2,5-9,11H2,(H,28,36)(H4,26,27,31)(H2,29,32,33,35).

What are the key properties of N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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?

N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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 has a molecular weight of 2907.61 g/mol, XLogP of 12.20, 26 rotatable bonds, 26 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[(4-chlorophenoxy)methyl]phenyl]methyl]-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-N-[3-(2,4-dichlorophenyl)propyl]-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-[1-(4-methylphenyl)sulfonylindol-5-yl]-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 is sourced from PubChem (CID 158130903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).