N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine

C154H185Cl8N71O20S — CID 158553990

IUPACN-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
SMILESCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1cccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)c1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4=CCC=N4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4=CCC=N4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccccn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccco4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncn4)CC3)N2)nc1Cl
InChIInChI=1S/C20H23ClN8O2.2C18H20ClN9O2.C17H19ClN10O2.2C17H20ClN9O2.C17H19ClN8O3.C16H25NO3S.C14H19ClN8O2/c1-11-2-4-12(5-3-11)18(31)29-8-6-20(7-9-29)10-24-19(28-20)27-17(30)13-15(22)26-16(23)14(21)25-13;19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)3-7-28(8-4-18)16(30)10-1-5-22-6-2-10;19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)4-7-28(8-5-18)16(30)10-3-1-2-6-22-10;18-11-13(20)25-12(19)10(24-11)14(29)26-16-22-7-17(27-16)2-5-28(6-3-17)15(30)9-1-4-21-8-23-9;2*18-11-13(20)24-12(19)10(23-11)14(28)25-16-22-8-17(26-16)3-6-27(7-4-17)15(29)9-2-1-5-21-9;18-11-13(20)23-12(19)10(22-11)14(27)24-16-21-8-17(25-16)3-5-26(6-4-17)15(28)9-2-1-7-29-9;1-13(2)12-20-15-7-9-17(10-8-15)21(18,19)16-6-4-5-14(3)11-16;1-7(24)23-4-2-14(3-5-23)6-18-13(22-14)21-12(25)8-10(16)20-11(17)9(15)19-8/h2-5H,6-10H2,1H3,(H4,22,23,26)(H2,24,27,28,30);1-2,5-6H,3-4,7-9H2,(H4,20,21,25)(H2,23,26,27,29);1-3,6H,4-5,7-9H2,(H4,20,21,25)(H2,23,26,27,29);1,4,8H,2-3,5-7H2,(H4,19,20,25)(H2,22,26,27,29);2*2,5H,1,3-4,6-8H2,(H4,19,20,24)(H2,22,25,26,28);1-2,7H,3-6,8H2,(H4,19,20,23)(H2,21,24,25,27);4-6,11,13,15H,7-10,12H2,1-3H3;2-6H2,1H3,(H4,16,17,20)(H2,18,21,22,25)
InChIKeyHQBCTDNXLJUGOV-UHFFFAOYSA-N
MW3666.34 g/mol
LogP2.36
Rot. Bonds20

About N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine

N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine (PubChem CID 158553990) has the molecular formula C154H185Cl8N71O20S and a molecular weight of 3666.34 g/mol. Its IUPAC name is N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine.

Molecular Properties

Compound NameN-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
PubChem CID158553990
Molecular FormulaC154H185Cl8N71O20S
Molecular Weight3666.34 g/mol
Exact Mass3660.29
IUPAC NameN-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
SMILESCC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1cccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)c1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4=CCC=N4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4=CCC=N4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccccn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccco4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncn4)CC3)N2)nc1Cl
InChIInChI=1S/C20H23ClN8O2.2C18H20ClN9O2.C17H19ClN10O2.2C17H20ClN9O2.C17H19ClN8O3.C16H25NO3S.C14H19ClN8O2/c1-11-2-4-12(5-3-11)18(31)29-8-6-20(7-9-29)10-24-19(28-20)27-17(30)13-15(22)26-16(23)14(21)25-13;19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)3-7-28(8-4-18)16(30)10-1-5-22-6-2-10;19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)4-7-28(8-5-18)16(30)10-3-1-2-6-22-10;18-11-13(20)25-12(19)10(24-11)14(29)26-16-22-7-17(27-16)2-5-28(6-3-17)15(30)9-1-4-21-8-23-9;2*18-11-13(20)24-12(19)10(23-11)14(28)25-16-22-8-17(26-16)3-6-27(7-4-17)15(29)9-2-1-5-21-9;18-11-13(20)23-12(19)10(22-11)14(27)24-16-21-8-17(25-16)3-5-26(6-4-17)15(28)9-2-1-7-29-9;1-13(2)12-20-15-7-9-17(10-8-15)21(18,19)16-6-4-5-14(3)11-16;1-7(24)23-4-2-14(3-5-23)6-18-13(22-14)21-12(25)8-10(16)20-11(17)9(15)19-8/h2-5H,6-10H2,1H3,(H4,22,23,26)(H2,24,27,28,30);1-2,5-6H,3-4,7-9H2,(H4,20,21,25)(H2,23,26,27,29);1-3,6H,4-5,7-9H2,(H4,20,21,25)(H2,23,26,27,29);1,4,8H,2-3,5-7H2,(H4,19,20,25)(H2,22,26,27,29);2*2,5H,1,3-4,6-8H2,(H4,19,20,24)(H2,22,25,26,28);1-2,7H,3-6,8H2,(H4,19,20,23)(H2,21,24,25,27);4-6,11,13,15H,7-10,12H2,1-3H3;2-6H2,1H3,(H4,16,17,20)(H2,18,21,22,25)
InChIKeyHQBCTDNXLJUGOV-UHFFFAOYSA-N
XLogP2.36
TPSA1348.99 Ų
H-Bond Donors32
H-Bond Acceptors74
Rotatable Bonds20
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003666.34
LogP ≤ 52.36
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1074

Analyze N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine with MolForge

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Related Compounds

3,5-diamino-6-chloro-N-[8-[3-[4-(2-methylpropoxy)cyclohexyl]sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 58447525
3,5-diamino-6-chloro-N-[8-[3-(1-pyridin-4-ylethylsulfamoyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 58447567
3,5-diamino-6-chloro-N-[8-[3-(methylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 130461468
N-[8-(4-acetamidobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-3,5-diamino-6-chloropyrazine-2-carboxamide
CID 59334247
3,5-diamino-6-chloro-N-[8-[3-[[4-[5-(1,1-difluoroethyl)-2-pyridinyl]-1,4-diazepan-1-yl]sulfonyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 130461150
3,5-diamino-6-chloro-N-[8-[3-(2-pyridin-3-yloxypropylamino)sulfanylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 130461208
3,5-diamino-6-chloro-N-[8-[3-[(4-fluoro-2-hydroxyphenyl)methylsulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 147089263
3,5-diamino-6-chloro-N-[8-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 59334198
3,5-diamino-6-chloro-N-[8-[3-(cyclopentylamino)sulfanylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 130461134
3,5-diamino-6-chloro-N-[8-[3-[[3-(difluoromethoxy)phenyl]methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[(5-methylpyrazin-2-yl)methylsulfamoyl]benzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(2-phenylmorpholin-4-yl)sulfonylbenzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide
CID 162119610
3,5-diamino-6-chloro-N-[8-[3-[(1-methylidene-1-oxothiolan-3-yl)sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 88893362
3,5-diamino-N-[8-[4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(6-pyrazol-1-ylpyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 160801891

Frequently Asked Questions

What is the IUPAC name of N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine?
The IUPAC name of N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine (CID 158553990) is N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine.
What is the SMILES notation for N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine?
The canonical SMILES for N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine is CC(=O)N1CCC2(CC1)CN=C(NC(=O)c1nc(Cl)c(N)nc1N)N2.Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1cccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)c1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4=CCC=N4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)C4=CCC=N4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccccn4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccco4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccncn4)CC3)N2)nc1Cl.
What is the InChIKey of N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine?
The InChIKey is HQBCTDNXLJUGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN8O2.2C18H20ClN9O2.C17H19ClN10O2.2C17H20ClN9O2.C17H19ClN8O3.C16H25NO3S.C14H19ClN8O2/c1-11-2-4-12(5-3-11)18(31)29-8-6-20(7-9-29)10-24-19(28-20)27-17(30)13-15(22)26-16(23)14(21)25-13;19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)3-7-28(8-4-18)16(30)10-1-5-22-6-2-10;19-12-14(21)25-13(20)11(24-12)15(29)26-17-23-9-18(27-17)4-7-28(8-5-18)16(30)10-3-1-2-6-22-10;18-11-13(20)25-12(19)10(24-11)14(29)26-16-22-7-17(27-16)2-5-28(6-3-17)15(30)9-1-4-21-8-23-9;2*18-11-13(20)24-12(19)10(23-11)14(28)25-16-22-8-17(26-16)3-6-27(7-4-17)15(29)9-2-1-5-21-9;18-11-13(20)23-12(19)10(22-11)14(27)24-16-21-8-17(25-16)3-5-26(6-4-17)15(28)9-2-1-7-29-9;1-13(2)12-20-15-7-9-17(10-8-15)21(18,19)16-6-4-5-14(3)11-16;1-7(24)23-4-2-14(3-5-23)6-18-13(22-14)21-12(25)8-10(16)20-11(17)9(15)19-8/h2-5H,6-10H2,1H3,(H4,22,23,26)(H2,24,27,28,30);1-2,5-6H,3-4,7-9H2,(H4,20,21,25)(H2,23,26,27,29);1-3,6H,4-5,7-9H2,(H4,20,21,25)(H2,23,26,27,29);1,4,8H,2-3,5-7H2,(H4,19,20,25)(H2,22,26,27,29);2*2,5H,1,3-4,6-8H2,(H4,19,20,24)(H2,22,25,26,28);1-2,7H,3-6,8H2,(H4,19,20,23)(H2,21,24,25,27);4-6,11,13,15H,7-10,12H2,1-3H3;2-6H2,1H3,(H4,16,17,20)(H2,18,21,22,25).
What are the key properties of N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine?
N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine has a molecular weight of 3666.34 g/mol, XLogP of 2.36, 20 rotatable bonds, 32 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-acetyl-1,3,8-triazaspiro[4.5]dec-2-en-2-yl)-3,5-diamino-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(furan-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(pyrimidine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(3,5-diamino-6-chloro-N-[8-(3H-pyrrole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide);1-(3-methylphenyl)sulfonyl-4-(2-methylpropoxy)piperidine is sourced from PubChem (CID 158553990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).