2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C210H214BBr8Cl2F2N63O22 — CID 158744720

IUPAC2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCC(C)(C)OC(=O)NCC/N=N/c1c(N)c(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(C)(C)OC(=O)NCCBr.CC(C)(F)C(=O)NCCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.CC(C)(F)C(=O)O.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.COc1ccc(CCN)cc1.COc1ccc(Cn2nc3c(Cl)nc4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2nc3c(N)nc4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2nc3c4ccc(Br)cc4ncc3[n+]2[O-])cc1.COc1ccc(Cn2nc3c[n+]([O-])c4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2nc3cnc4cc(Br)ccc4c3n2)cc1.NCCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2n[nH]nc12.Nc1nc2cc(Br)ccc2c2n[nH]nc12.O=[N+]([O-])c1cnc2cc(Br)ccc2c1Cl
InChIInChI=1S/C24H32N8O3.C18H19FN8O.C17H12BrClN4O.C17H14BrN5O.2C17H13BrN4O2.C17H13BrN4O.C17H17N7O.C14H23BN2O3.C14H14N8.C9H4BrClN2O2.C9H6BrN5.C9H13NO.C7H14BrNO2.C4H7FO2/c1-24(2,3)35-23(33)27-11-12-28-31-21-16-8-7-15(14-17(16)30-22(26)20(21)25)18-9-10-29-32(18)19-6-4-5-13-34-19;1-18(2,19)17(28)21-7-8-27-25-14-11-4-3-10(12-5-6-22-24-12)9-13(11)23-16(20)15(14)26-27;2*1-24-12-5-2-10(3-6-12)9-23-21-15-13-7-4-11(18)8-14(13)20-17(19)16(15)22-23;1-24-13-5-2-11(3-6-13)10-21-20-17-14-7-4-12(18)8-15(14)19-9-16(17)22(21)23;1-24-13-5-2-11(3-6-13)9-22-19-15-10-21(23)16-8-12(18)4-7-14(16)17(15)20-22;1-23-13-5-2-11(3-6-13)10-22-20-16-9-19-15-8-12(18)4-7-14(15)17(16)21-22;18-17-16-15(21-23-22-16)11-5-4-10(9-12(11)20-17)13-6-7-19-24(13)14-3-1-2-8-25-14;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;15-4-6-22-20-12-9-2-1-8(10-3-5-17-19-10)7-11(9)18-14(16)13(12)21-22;10-5-1-2-6-7(3-5)12-4-8(9(6)11)13(14)15;10-4-1-2-5-6(3-4)12-9(11)8-7(5)13-15-14-8;1-11-9-4-2-8(3-5-9)6-7-10;1-7(2,3)11-6(10)9-5-4-8;1-4(2,5)3(6)7/h7-10,14,19H,4-6,11-13,25H2,1-3H3,(H2,26,30)(H,27,33);3-6,9H,7-8H2,1-2H3,(H2,20,23)(H,21,28)(H,22,24);2-8H,9H2,1H3;2-8H,9H2,1H3,(H2,19,20);2-9H,10H2,1H3;2-8,10H,9H2,1H3;2-9H,10H2,1H3;4-7,9,14H,1-3,8H2,(H2,18,20)(H,21,22,23);8-9,12H,5-7,10H2,1-4H3;1-3,5,7H,4,6,15H2,(H2,16,18)(H,17,19);1-4H;1-3H,(H2,11,12)(H,13,14,15);2-5H,6-7,10H2,1H3;4-5H2,1-3H3,(H,9,10);1-2H3,(H,6,7)/b31-28+;;;;;;;;;;;;;;
InChIKeyXOPDNRTYVQSLMG-XFWGFNARSA-N
MW4731.39 g/mol
LogP38.87
Rot. Bonds40

About 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158744720) has the molecular formula C210H214BBr8Cl2F2N63O22 and a molecular weight of 4731.39 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID158744720
Molecular FormulaC210H214BBr8Cl2F2N63O22
Molecular Weight4731.39 g/mol
Exact Mass4720.05
IUPAC Name2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCC(C)(C)OC(=O)NCC/N=N/c1c(N)c(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(C)(C)OC(=O)NCCBr.CC(C)(F)C(=O)NCCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.CC(C)(F)C(=O)O.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.COc1ccc(CCN)cc1.COc1ccc(Cn2nc3c(Cl)nc4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2nc3c(N)nc4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2nc3c4ccc(Br)cc4ncc3[n+]2[O-])cc1.COc1ccc(Cn2nc3c[n+]([O-])c4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2nc3cnc4cc(Br)ccc4c3n2)cc1.NCCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2n[nH]nc12.Nc1nc2cc(Br)ccc2c2n[nH]nc12.O=[N+]([O-])c1cnc2cc(Br)ccc2c1Cl
InChIInChI=1S/C24H32N8O3.C18H19FN8O.C17H12BrClN4O.C17H14BrN5O.2C17H13BrN4O2.C17H13BrN4O.C17H17N7O.C14H23BN2O3.C14H14N8.C9H4BrClN2O2.C9H6BrN5.C9H13NO.C7H14BrNO2.C4H7FO2/c1-24(2,3)35-23(33)27-11-12-28-31-21-16-8-7-15(14-17(16)30-22(26)20(21)25)18-9-10-29-32(18)19-6-4-5-13-34-19;1-18(2,19)17(28)21-7-8-27-25-14-11-4-3-10(12-5-6-22-24-12)9-13(11)23-16(20)15(14)26-27;2*1-24-12-5-2-10(3-6-12)9-23-21-15-13-7-4-11(18)8-14(13)20-17(19)16(15)22-23;1-24-13-5-2-11(3-6-13)10-21-20-17-14-7-4-12(18)8-15(14)19-9-16(17)22(21)23;1-24-13-5-2-11(3-6-13)9-22-19-15-10-21(23)16-8-12(18)4-7-14(16)17(15)20-22;1-23-13-5-2-11(3-6-13)10-22-20-16-9-19-15-8-12(18)4-7-14(15)17(16)21-22;18-17-16-15(21-23-22-16)11-5-4-10(9-12(11)20-17)13-6-7-19-24(13)14-3-1-2-8-25-14;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;15-4-6-22-20-12-9-2-1-8(10-3-5-17-19-10)7-11(9)18-14(16)13(12)21-22;10-5-1-2-6-7(3-5)12-4-8(9(6)11)13(14)15;10-4-1-2-5-6(3-4)12-9(11)8-7(5)13-15-14-8;1-11-9-4-2-8(3-5-9)6-7-10;1-7(2,3)11-6(10)9-5-4-8;1-4(2,5)3(6)7/h7-10,14,19H,4-6,11-13,25H2,1-3H3,(H2,26,30)(H,27,33);3-6,9H,7-8H2,1-2H3,(H2,20,23)(H,21,28)(H,22,24);2-8H,9H2,1H3;2-8H,9H2,1H3,(H2,19,20);2-9H,10H2,1H3;2-8,10H,9H2,1H3;2-9H,10H2,1H3;4-7,9,14H,1-3,8H2,(H2,18,20)(H,21,22,23);8-9,12H,5-7,10H2,1-4H3;1-3,5,7H,4,6,15H2,(H2,16,18)(H,17,19);1-4H;1-3H,(H2,11,12)(H,13,14,15);2-5H,6-7,10H2,1H3;4-5H2,1-3H3,(H,9,10);1-2H3,(H,6,7)/b31-28+;;;;;;;;;;;;;;
InChIKeyXOPDNRTYVQSLMG-XFWGFNARSA-N
XLogP38.87
TPSA1125.45 Ų
H-Bond Donors17
H-Bond Acceptors74
Rotatable Bonds40
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004731.39
LogP ≤ 538.87
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1074

Analyze 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158744720) is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(C)(C)OC(=O)NCC/N=N/c1c(N)c(N)nc2cc(-c3ccnn3C3CCCCO3)ccc12.CC(C)(C)OC(=O)NCCBr.CC(C)(F)C(=O)NCCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.CC(C)(F)C(=O)O.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.COc1ccc(CCN)cc1.COc1ccc(Cn2nc3c(Cl)nc4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2nc3c(N)nc4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2nc3c4ccc(Br)cc4ncc3[n+]2[O-])cc1.COc1ccc(Cn2nc3c[n+]([O-])c4cc(Br)ccc4c3n2)cc1.COc1ccc(Cn2nc3cnc4cc(Br)ccc4c3n2)cc1.NCCn1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2n[nH]nc12.Nc1nc2cc(Br)ccc2c2n[nH]nc12.O=[N+]([O-])c1cnc2cc(Br)ccc2c1Cl.
What is the InChIKey of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is XOPDNRTYVQSLMG-XFWGFNARSA-N. The full InChI is InChI=1S/C24H32N8O3.C18H19FN8O.C17H12BrClN4O.C17H14BrN5O.2C17H13BrN4O2.C17H13BrN4O.C17H17N7O.C14H23BN2O3.C14H14N8.C9H4BrClN2O2.C9H6BrN5.C9H13NO.C7H14BrNO2.C4H7FO2/c1-24(2,3)35-23(33)27-11-12-28-31-21-16-8-7-15(14-17(16)30-22(26)20(21)25)18-9-10-29-32(18)19-6-4-5-13-34-19;1-18(2,19)17(28)21-7-8-27-25-14-11-4-3-10(12-5-6-22-24-12)9-13(11)23-16(20)15(14)26-27;2*1-24-12-5-2-10(3-6-12)9-23-21-15-13-7-4-11(18)8-14(13)20-17(19)16(15)22-23;1-24-13-5-2-11(3-6-13)10-21-20-17-14-7-4-12(18)8-15(14)19-9-16(17)22(21)23;1-24-13-5-2-11(3-6-13)9-22-19-15-10-21(23)16-8-12(18)4-7-14(16)17(15)20-22;1-23-13-5-2-11(3-6-13)10-22-20-16-9-19-15-8-12(18)4-7-14(15)17(16)21-22;18-17-16-15(21-23-22-16)11-5-4-10(9-12(11)20-17)13-6-7-19-24(13)14-3-1-2-8-25-14;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;15-4-6-22-20-12-9-2-1-8(10-3-5-17-19-10)7-11(9)18-14(16)13(12)21-22;10-5-1-2-6-7(3-5)12-4-8(9(6)11)13(14)15;10-4-1-2-5-6(3-4)12-9(11)8-7(5)13-15-14-8;1-11-9-4-2-8(3-5-9)6-7-10;1-7(2,3)11-6(10)9-5-4-8;1-4(2,5)3(6)7/h7-10,14,19H,4-6,11-13,25H2,1-3H3,(H2,26,30)(H,27,33);3-6,9H,7-8H2,1-2H3,(H2,20,23)(H,21,28)(H,22,24);2-8H,9H2,1H3;2-8H,9H2,1H3,(H2,19,20);2-9H,10H2,1H3;2-8,10H,9H2,1H3;2-9H,10H2,1H3;4-7,9,14H,1-3,8H2,(H2,18,20)(H,21,22,23);8-9,12H,5-7,10H2,1-4H3;1-3,5,7H,4,6,15H2,(H2,16,18)(H,17,19);1-4H;1-3H,(H2,11,12)(H,13,14,15);2-5H,6-7,10H2,1H3;4-5H2,1-3H3,(H,9,10);1-2H3,(H,6,7)/b31-28+;;;;;;;;;;;;;;.
What are the key properties of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 4731.39 g/mol, XLogP of 38.87, 40 rotatable bonds, 17 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)triazolo[4,5-c]quinolin-2-yl]ethyl]-2-fluoro-2-methylpropanamide;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-4-chloro-3-nitroquinoline;7-bromo-2-[(4-methoxyphenyl)methyl]-3-oxidotriazolo[4,5-c]quinolin-3-ium;7-bromo-2-[(4-methoxyphenyl)methyl]-5-oxidotriazolo[4,5-c]quinolin-5-ium;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinolin-4-amine;7-bromo-2-[(4-methoxyphenyl)methyl]triazolo[4,5-c]quinoline;7-bromo-2H-triazolo[4,5-c]quinolin-4-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[[2,3-diamino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]diazenyl]ethyl]carbamate;2-fluoro-2-methylpropanoic acid;2-(4-methoxyphenyl)ethanamine;7-[2-(oxan-2-yl)pyrazol-3-yl]-2H-triazolo[4,5-c]quinolin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158744720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).