3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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

C159H191Cl6FN54O18 — CID 158949760

IUPAC3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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
SMILESCOc1cc(CCNC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc(OC)c1.Cc1cc2[nH]cc(CCCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2cc1C.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4cccc(OCc5ccccc5)c4)CC3)N2)nc1Cl.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
InChIInChI=1S/C29H33ClFN9O3.C29H33ClN8O3.C27H30ClN9O3.C26H32ClN9O2.C25H33ClN10O3.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;30-24-26(32)35-25(31)23(34-24)27(40)36-28-33-18-29(37-28)12-14-38(15-13-29)22(39)11-5-9-19-8-4-10-21(16-19)41-17-20-6-2-1-3-7-20;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;1-14-10-17-16(12-30-18(17)11-15(14)2)4-3-5-19(37)36-8-6-26(7-9-36)13-31-25(35-26)34-24(38)20-22(28)33-23(29)21(27)32-20;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;1-36-14-9-13(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);1-4,6-8,10,16H,5,9,11-15,17-18H2,(H4,31,32,35)(H2,33,36,37,40);1-8,13H,9-12,14-16H2,(H,31,39)(H4,29,30,34)(H2,32,35,36,38);10-12,30H,3-9,13H2,1-2H3,(H4,28,29,33)(H2,31,34,35,38);1-4H,5-15H2,(H,29,38)(H4,27,28,32)(H2,30,33,34,37);9-11H,3-8,12H2,1-2H3,(H,27,35)(H4,25,26,30)(H2,28,31,32,34)
InChIKeyJLGUNXPEHGYYCR-UHFFFAOYSA-N
MW3378.35 g/mol
LogP11.60
Rot. Bonds38

About 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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

3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 158949760) has the molecular formula C159H191Cl6FN54O18 and a molecular weight of 3378.35 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 Name3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 CID158949760
Molecular FormulaC159H191Cl6FN54O18
Molecular Weight3378.35 g/mol
Exact Mass3373.38
IUPAC Name3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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
SMILESCOc1cc(CCNC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc(OC)c1.Cc1cc2[nH]cc(CCCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2cc1C.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4cccc(OCc5ccccc5)c4)CC3)N2)nc1Cl.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
InChIInChI=1S/C29H33ClFN9O3.C29H33ClN8O3.C27H30ClN9O3.C26H32ClN9O2.C25H33ClN10O3.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;30-24-26(32)35-25(31)23(34-24)27(40)36-28-33-18-29(37-28)12-14-38(15-13-29)22(39)11-5-9-19-8-4-10-21(16-19)41-17-20-6-2-1-3-7-20;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;1-14-10-17-16(12-30-18(17)11-15(14)2)4-3-5-19(37)36-8-6-26(7-9-36)13-31-25(35-26)34-24(38)20-22(28)33-23(29)21(27)32-20;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;1-36-14-9-13(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);1-4,6-8,10,16H,5,9,11-15,17-18H2,(H4,31,32,35)(H2,33,36,37,40);1-8,13H,9-12,14-16H2,(H,31,39)(H4,29,30,34)(H2,32,35,36,38);10-12,30H,3-9,13H2,1-2H3,(H4,28,29,33)(H2,31,34,35,38);1-4H,5-15H2,(H,29,38)(H4,27,28,32)(H2,30,33,34,37);9-11H,3-8,12H2,1-2H3,(H,27,35)(H4,25,26,30)(H2,28,31,32,34)
InChIKeyJLGUNXPEHGYYCR-UHFFFAOYSA-N
XLogP11.60
TPSA1032.25 Ų
H-Bond Donors29
H-Bond Acceptors55
Rotatable Bonds38
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003378.35
LogP ≤ 511.60
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1055

Analyze 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 with MolForge

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Related Compounds

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
3,5-diamino-6-chloro-N-[8-(7H-cyclopenta[b]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(7H-cyclopenta[b]pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2,3-dihydro-1-benzofuran-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4,6-dimethoxypyrimidin-2-yl)methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(quinoline-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 157222656
3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate
CID 157231810
3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoic acid;ethyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;methyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate;propyl 3-[4-[3-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-3-oxopropyl]phenyl]propanoate
CID 157354909
3-amino-6-chloro-5-methyl-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(2-phenoxyethyl)indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide
CID 157426324
CID 157607042
CID 157607042
3,5-diamino-6-chloro-N-[8-[4-[(4,6-dimethoxypyrimidin-2-yl)methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(propan-2-ylcarbamoylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(propan-2-ylcarbamoylamino)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide
CID 157612383
CID 158020308
CID 158020308
N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;tert-butyl 4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]benzoate;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(4-methylphenyl)ethyl]indole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-methyl-3-propan-2-yl-1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;4-methyl-1-(2-phenoxyethyl)indole
CID 158076665
CID 158216706
CID 158216706
CID 158982846
CID 158982846
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

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 158949760) is 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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(CCCC(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)c2cc1C.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCCc4cccc(OCc5ccccc5)c4)CC3)N2)nc1Cl.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 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 JLGUNXPEHGYYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClFN9O3.C29H33ClN8O3.C27H30ClN9O3.C26H32ClN9O2.C25H33ClN10O3.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;30-24-26(32)35-25(31)23(34-24)27(40)36-28-33-18-29(37-28)12-14-38(15-13-29)22(39)11-5-9-19-8-4-10-21(16-19)41-17-20-6-2-1-3-7-20;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;1-14-10-17-16(12-30-18(17)11-15(14)2)4-3-5-19(37)36-8-6-26(7-9-36)13-31-25(35-26)34-24(38)20-22(28)33-23(29)21(27)32-20;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;1-36-14-9-13(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);1-4,6-8,10,16H,5,9,11-15,17-18H2,(H4,31,32,35)(H2,33,36,37,40);1-8,13H,9-12,14-16H2,(H,31,39)(H4,29,30,34)(H2,32,35,36,38);10-12,30H,3-9,13H2,1-2H3,(H4,28,29,33)(H2,31,34,35,38);1-4H,5-15H2,(H,29,38)(H4,27,28,32)(H2,30,33,34,37);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 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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?
3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 3378.35 g/mol, XLogP of 11.60, 38 rotatable bonds, 29 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[4-(5,6-dimethyl-1H-indol-3-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(3-phenylmethoxyphenyl)butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-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-[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 158949760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).