dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate

C131H147BBr4Cl6Cs2F2N42O20 — CID 176544291

IUPACdicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
SMILESC/N=C(\NCl)NC(=O)OC.CC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3ccnn3C3CCCCO3)c(Cl)cc12.CC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)c(Cl)cc12.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)c(Cl)cc12.Nc1nc2cc(-c3ccn[nH]3)c(Cl)cc2c(/C=N/CCNC(=O)c2ccc(F)cn2)c1N.Nc1nc2cc(Br)c(Cl)cc2c2cn[nH]c12.O=C(O)c1ccc(F)cn1.O=C=O.O=CO[O-].[Cs+].[Cs+].[H-].[H]/N=C/c1c(N)c(N)nc2cc(Br)ccc12
InChIInChI=1S/C25H30ClN7O3.C21H18ClFN8O.C17H19BrClN5O2.C15H14ClN7.C14H23BN2O3.C10H6BrClN4.C10H9BrN4.C7H14BrNO2.C6H4FNO2.C4H8ClN3O2.CH2O3.CO2.2Cs.H/c1-25(2,3)36-24(34)28-9-10-32-14-17-15-12-18(26)16(13-19(15)30-23(27)22(17)31-32)20-7-8-29-33(20)21-6-4-5-11-35-21;22-15-7-12-14(10-26-5-6-27-21(32)17-2-1-11(23)9-28-17)19(24)20(25)30-18(12)8-13(15)16-3-4-29-31-16;1-17(2,3)26-16(25)21-4-5-24-8-10-9-6-12(19)11(18)7-13(9)22-15(20)14(10)23-24;16-11-5-8-10-7-23(4-2-17)22-14(10)15(18)20-13(8)6-9(11)12-1-3-19-21-12;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;11-6-2-8-4(1-7(6)12)5-3-14-16-9(5)10(13)15-8;11-5-1-2-6-7(4-12)9(13)10(14)15-8(6)3-5;1-7(2,3)11-6(10)9-5-4-8;7-4-1-2-5(6(9)10)8-3-4;1-6-3(8-5)7-4(9)10-2;2-1-4-3;2-1-3;;;/h7-8,12-14,21H,4-6,9-11H2,1-3H3,(H2,27,30)(H,28,34);1-4,7-10H,5-6,24H2,(H2,25,30)(H,27,32)(H,29,31);6-8H,4-5H2,1-3H3,(H2,20,22)(H,21,25);1,3,5-7H,2,4,17H2,(H2,18,20)(H,19,21);8-9,12H,5-7,10H2,1-4H3;1-3H,(H2,13,15)(H,14,16);1-4,12H,13H2,(H2,14,15);4-5H2,1-3H3,(H,9,10);1-3H,(H,9,10);1-2H3,(H2,6,7,8,9);1,3H;;;;/q;;;;;;;;;;;;2*+1;-1/p-1/b;26-10+;;;;;12-4+;;;;;;;;
InChIKeyZNYFAYXQZKDKNX-COUXCFDVSA-M
MW3476.84 g/mol
LogP16.03
Rot. Bonds24

About dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate

dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (PubChem CID 176544291) has the molecular formula C131H147BBr4Cl6Cs2F2N42O20 and a molecular weight of 3476.84 g/mol. Its IUPAC name is dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate.

Molecular Properties

Compound Namedicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
PubChem CID176544291
Molecular FormulaC131H147BBr4Cl6Cs2F2N42O20
Molecular Weight3476.84 g/mol
Exact Mass3468.48
IUPAC Namedicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
SMILESC/N=C(\NCl)NC(=O)OC.CC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3ccnn3C3CCCCO3)c(Cl)cc12.CC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)c(Cl)cc12.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)c(Cl)cc12.Nc1nc2cc(-c3ccn[nH]3)c(Cl)cc2c(/C=N/CCNC(=O)c2ccc(F)cn2)c1N.Nc1nc2cc(Br)c(Cl)cc2c2cn[nH]c12.O=C(O)c1ccc(F)cn1.O=C=O.O=CO[O-].[Cs+].[Cs+].[H-].[H]/N=C/c1c(N)c(N)nc2cc(Br)ccc12
InChIInChI=1S/C25H30ClN7O3.C21H18ClFN8O.C17H19BrClN5O2.C15H14ClN7.C14H23BN2O3.C10H6BrClN4.C10H9BrN4.C7H14BrNO2.C6H4FNO2.C4H8ClN3O2.CH2O3.CO2.2Cs.H/c1-25(2,3)36-24(34)28-9-10-32-14-17-15-12-18(26)16(13-19(15)30-23(27)22(17)31-32)20-7-8-29-33(20)21-6-4-5-11-35-21;22-15-7-12-14(10-26-5-6-27-21(32)17-2-1-11(23)9-28-17)19(24)20(25)30-18(12)8-13(15)16-3-4-29-31-16;1-17(2,3)26-16(25)21-4-5-24-8-10-9-6-12(19)11(18)7-13(9)22-15(20)14(10)23-24;16-11-5-8-10-7-23(4-2-17)22-14(10)15(18)20-13(8)6-9(11)12-1-3-19-21-12;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;11-6-2-8-4(1-7(6)12)5-3-14-16-9(5)10(13)15-8;11-5-1-2-6-7(4-12)9(13)10(14)15-8(6)3-5;1-7(2,3)11-6(10)9-5-4-8;7-4-1-2-5(6(9)10)8-3-4;1-6-3(8-5)7-4(9)10-2;2-1-4-3;2-1-3;;;/h7-8,12-14,21H,4-6,9-11H2,1-3H3,(H2,27,30)(H,28,34);1-4,7-10H,5-6,24H2,(H2,25,30)(H,27,32)(H,29,31);6-8H,4-5H2,1-3H3,(H2,20,22)(H,21,25);1,3,5-7H,2,4,17H2,(H2,18,20)(H,19,21);8-9,12H,5-7,10H2,1-4H3;1-3H,(H2,13,15)(H,14,16);1-4,12H,13H2,(H2,14,15);4-5H2,1-3H3,(H,9,10);1-3H,(H,9,10);1-2H3,(H2,6,7,8,9);1,3H;;;;/q;;;;;;;;;;;;2*+1;-1/p-1/b;26-10+;;;;;12-4+;;;;;;;;
InChIKeyZNYFAYXQZKDKNX-COUXCFDVSA-M
XLogP16.03
TPSA913.18 Ų
H-Bond Donors20
H-Bond Acceptors52
Rotatable Bonds24
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003476.84
LogP ≤ 516.03
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?
The IUPAC name of dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (CID 176544291) is dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate.
What is the SMILES notation for dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?
The canonical SMILES for dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate is C/N=C(\NCl)NC(=O)OC.CC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3ccnn3C3CCCCO3)c(Cl)cc12.CC(C)(C)OC(=O)NCCn1cc2c(n1)c(N)nc1cc(Br)c(Cl)cc12.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.NCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)c(Cl)cc12.Nc1nc2cc(-c3ccn[nH]3)c(Cl)cc2c(/C=N/CCNC(=O)c2ccc(F)cn2)c1N.Nc1nc2cc(Br)c(Cl)cc2c2cn[nH]c12.O=C(O)c1ccc(F)cn1.O=C=O.O=CO[O-].[Cs+].[Cs+].[H-].[H]/N=C/c1c(N)c(N)nc2cc(Br)ccc12.
What is the InChIKey of dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?
The InChIKey is ZNYFAYXQZKDKNX-COUXCFDVSA-M. The full InChI is InChI=1S/C25H30ClN7O3.C21H18ClFN8O.C17H19BrClN5O2.C15H14ClN7.C14H23BN2O3.C10H6BrClN4.C10H9BrN4.C7H14BrNO2.C6H4FNO2.C4H8ClN3O2.CH2O3.CO2.2Cs.H/c1-25(2,3)36-24(34)28-9-10-32-14-17-15-12-18(26)16(13-19(15)30-23(27)22(17)31-32)20-7-8-29-33(20)21-6-4-5-11-35-21;22-15-7-12-14(10-26-5-6-27-21(32)17-2-1-11(23)9-28-17)19(24)20(25)30-18(12)8-13(15)16-3-4-29-31-16;1-17(2,3)26-16(25)21-4-5-24-8-10-9-6-12(19)11(18)7-13(9)22-15(20)14(10)23-24;16-11-5-8-10-7-23(4-2-17)22-14(10)15(18)20-13(8)6-9(11)12-1-3-19-21-12;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;11-6-2-8-4(1-7(6)12)5-3-14-16-9(5)10(13)15-8;11-5-1-2-6-7(4-12)9(13)10(14)15-8(6)3-5;1-7(2,3)11-6(10)9-5-4-8;7-4-1-2-5(6(9)10)8-3-4;1-6-3(8-5)7-4(9)10-2;2-1-4-3;2-1-3;;;/h7-8,12-14,21H,4-6,9-11H2,1-3H3,(H2,27,30)(H,28,34);1-4,7-10H,5-6,24H2,(H2,25,30)(H,27,32)(H,29,31);6-8H,4-5H2,1-3H3,(H2,20,22)(H,21,25);1,3,5-7H,2,4,17H2,(H2,18,20)(H,19,21);8-9,12H,5-7,10H2,1-4H3;1-3H,(H2,13,15)(H,14,16);1-4,12H,13H2,(H2,14,15);4-5H2,1-3H3,(H,9,10);1-3H,(H,9,10);1-2H3,(H2,6,7,8,9);1,3H;;;;/q;;;;;;;;;;;;2*+1;-1/p-1/b;26-10+;;;;;12-4+;;;;;;;;.
What are the key properties of dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?
dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate has a molecular weight of 3476.84 g/mol, XLogP of 16.03, 24 rotatable bonds, 20 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;2-(2-aminoethyl)-8-chloro-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-bromo-8-chloro-3H-pyrazolo[5,4-c]quinolin-4-amine;7-bromo-4-methanimidoylquinoline-2,3-diamine;tert-butyl N-[2-(4-amino-7-bromo-8-chloropyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-8-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;carbon dioxide;N-[2-[[2,3-diamino-6-chloro-7-(1H-pyrazol-5-yl)quinolin-4-yl]methylideneamino]ethyl]-5-fluoropyridine-2-carboxamide;5-fluoropyridine-2-carboxylic acid;hydride;methyl N-(N-chloro-N'-methylcarbamimidoyl)carbamate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate is sourced from PubChem (CID 176544291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).