2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid

C162H175BBr6N38O28 — CID 159554352

IUPAC2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1cc(C#N)c(-c2ccc(Br)cc2[N+](=O)[O-])c1.CC(C)(C)OC(=O)NCCn1cc2c(N)nc3cc(-c4ccnn4C4CCCCO4)ccc3c2c1.CC(C)(C)OC(=O)NCCn1cc2c(N)nc3cc(Br)ccc3c2c1.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.CCOC(=O)/C(C#N)=C\c1ccc(Br)cc1[N+](=O)[O-].CCOC(=O)CC#N.N#Cc1c[nH]cc1-c1ccc(Br)cc1[N+](=O)[O-].NCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2c1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3ccccn3)cc12.O=C(O)c1ccccn1.O=Cc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C26H32N6O3.C22H19N7O.C18H19BrN4O4.C18H21BrN4O2.C16H16N6.C14H23BN2O3.C12H9BrN2O4.C11H6BrN3O2.C7H4BrNO3.C7H14BrNO2.C6H5NO2.C5H7NO2/c1-26(2,3)35-25(33)28-11-12-31-15-19-18-8-7-17(14-21(18)30-24(27)20(19)16-31)22-9-10-29-32(22)23-6-4-5-13-34-23;23-21-17-13-29(10-9-25-22(30)19-3-1-2-7-24-19)12-16(17)15-5-4-14(11-20(15)27-21)18-6-8-26-28-18;1-18(2,3)27-17(24)21-6-7-22-10-12(9-20)15(11-22)14-5-4-13(19)8-16(14)23(25)26;1-18(2,3)25-17(24)21-6-7-23-9-13-12-5-4-11(19)8-15(12)22-16(20)14(13)10-23;17-4-6-22-8-12-11-2-1-10(14-3-5-19-21-14)7-15(11)20-16(18)13(12)9-22;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;1-2-19-12(16)9(7-14)5-8-3-4-10(13)6-11(8)15(17)18;12-8-1-2-9(11(3-8)15(16)17)10-6-14-5-7(10)4-13;8-6-2-1-5(4-10)7(3-6)9(11)12;1-7(2,3)11-6(10)9-5-4-8;8-6(9)5-3-1-2-4-7-5;1-2-8-5(7)3-4-6/h7-10,14-16,23H,4-6,11-13H2,1-3H3,(H2,27,30)(H,28,33);1-8,11-13H,9-10H2,(H2,23,27)(H,25,30)(H,26,28);4-5,8,10-11H,6-7H2,1-3H3,(H,21,24);4-5,8-10H,6-7H2,1-3H3,(H2,20,22)(H,21,24);1-3,5,7-9H,4,6,17H2,(H2,18,20)(H,19,21);8-9,12H,5-7,10H2,1-4H3;3-6H,2H2,1H3;1-3,5-6,14H;1-4H;4-5H2,1-3H3,(H,9,10);1-4H,(H,8,9);2-3H2,1H3/b;;;;;;9-5-;;;;;
InChIKeyMFUNKUQSNLFRGN-WCKHOLAISA-N
MW3592.66 g/mol
LogP31.50
Rot. Bonds36

About 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid

2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid (PubChem CID 159554352) has the molecular formula C162H175BBr6N38O28 and a molecular weight of 3592.66 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid
PubChem CID159554352
Molecular FormulaC162H175BBr6N38O28
Molecular Weight3592.66 g/mol
Exact Mass3584.86
IUPAC Name2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1cc(C#N)c(-c2ccc(Br)cc2[N+](=O)[O-])c1.CC(C)(C)OC(=O)NCCn1cc2c(N)nc3cc(-c4ccnn4C4CCCCO4)ccc3c2c1.CC(C)(C)OC(=O)NCCn1cc2c(N)nc3cc(Br)ccc3c2c1.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.CCOC(=O)/C(C#N)=C\c1ccc(Br)cc1[N+](=O)[O-].CCOC(=O)CC#N.N#Cc1c[nH]cc1-c1ccc(Br)cc1[N+](=O)[O-].NCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2c1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3ccccn3)cc12.O=C(O)c1ccccn1.O=Cc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C26H32N6O3.C22H19N7O.C18H19BrN4O4.C18H21BrN4O2.C16H16N6.C14H23BN2O3.C12H9BrN2O4.C11H6BrN3O2.C7H4BrNO3.C7H14BrNO2.C6H5NO2.C5H7NO2/c1-26(2,3)35-25(33)28-11-12-31-15-19-18-8-7-17(14-21(18)30-24(27)20(19)16-31)22-9-10-29-32(22)23-6-4-5-13-34-23;23-21-17-13-29(10-9-25-22(30)19-3-1-2-7-24-19)12-16(17)15-5-4-14(11-20(15)27-21)18-6-8-26-28-18;1-18(2,3)27-17(24)21-6-7-22-10-12(9-20)15(11-22)14-5-4-13(19)8-16(14)23(25)26;1-18(2,3)25-17(24)21-6-7-23-9-13-12-5-4-11(19)8-15(12)22-16(20)14(13)10-23;17-4-6-22-8-12-11-2-1-10(14-3-5-19-21-14)7-15(11)20-16(18)13(12)9-22;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;1-2-19-12(16)9(7-14)5-8-3-4-10(13)6-11(8)15(17)18;12-8-1-2-9(11(3-8)15(16)17)10-6-14-5-7(10)4-13;8-6-2-1-5(4-10)7(3-6)9(11)12;1-7(2,3)11-6(10)9-5-4-8;8-6(9)5-3-1-2-4-7-5;1-2-8-5(7)3-4-6/h7-10,14-16,23H,4-6,11-13H2,1-3H3,(H2,27,30)(H,28,33);1-8,11-13H,9-10H2,(H2,23,27)(H,25,30)(H,26,28);4-5,8,10-11H,6-7H2,1-3H3,(H,21,24);4-5,8-10H,6-7H2,1-3H3,(H2,20,22)(H,21,24);1-3,5,7-9H,4,6,17H2,(H2,18,20)(H,19,21);8-9,12H,5-7,10H2,1-4H3;3-6H,2H2,1H3;1-3,5-6,14H;1-4H;4-5H2,1-3H3,(H,9,10);1-4H,(H,8,9);2-3H2,1H3/b;;;;;;9-5-;;;;;
InChIKeyMFUNKUQSNLFRGN-WCKHOLAISA-N
XLogP31.50
TPSA934.91 Ų
H-Bond Donors14
H-Bond Acceptors53
Rotatable Bonds36
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003592.66
LogP ≤ 531.50
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid with MolForge

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Related Compounds

2-(3-aminopropyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]propyl]benzamide;benzoic acid;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[3-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)propyl]carbamate;tert-butyl N-(3-bromopropyl)carbamate;5-methyl-1-(oxan-2-yl)pyrazole
CID 158845992
2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]ethyl]-5-fluoropyridine-2-carboxamide;7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;tert-butyl N-[2-(4-amino-7-bromopyrazolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl 4-bromobutanoate;ethane;4-fluorobenzoic acid;methane;5-methyl-1-(oxan-2-yl)pyrazole
CID 162012448

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid (CID 159554352) is 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid is CC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1cc(C#N)c(-c2ccc(Br)cc2[N+](=O)[O-])c1.CC(C)(C)OC(=O)NCCn1cc2c(N)nc3cc(-c4ccnn4C4CCCCO4)ccc3c2c1.CC(C)(C)OC(=O)NCCn1cc2c(N)nc3cc(Br)ccc3c2c1.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.CCOC(=O)/C(C#N)=C\c1ccc(Br)cc1[N+](=O)[O-].CCOC(=O)CC#N.N#Cc1c[nH]cc1-c1ccc(Br)cc1[N+](=O)[O-].NCCn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2c1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2cn(CCNC(=O)c3ccccn3)cc12.O=C(O)c1ccccn1.O=Cc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid?
The InChIKey is MFUNKUQSNLFRGN-WCKHOLAISA-N. The full InChI is InChI=1S/C26H32N6O3.C22H19N7O.C18H19BrN4O4.C18H21BrN4O2.C16H16N6.C14H23BN2O3.C12H9BrN2O4.C11H6BrN3O2.C7H4BrNO3.C7H14BrNO2.C6H5NO2.C5H7NO2/c1-26(2,3)35-25(33)28-11-12-31-15-19-18-8-7-17(14-21(18)30-24(27)20(19)16-31)22-9-10-29-32(22)23-6-4-5-13-34-23;23-21-17-13-29(10-9-25-22(30)19-3-1-2-7-24-19)12-16(17)15-5-4-14(11-20(15)27-21)18-6-8-26-28-18;1-18(2,3)27-17(24)21-6-7-22-10-12(9-20)15(11-22)14-5-4-13(19)8-16(14)23(25)26;1-18(2,3)25-17(24)21-6-7-23-9-13-12-5-4-11(19)8-15(12)22-16(20)14(13)10-23;17-4-6-22-8-12-11-2-1-10(14-3-5-19-21-14)7-15(11)20-16(18)13(12)9-22;1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;1-2-19-12(16)9(7-14)5-8-3-4-10(13)6-11(8)15(17)18;12-8-1-2-9(11(3-8)15(16)17)10-6-14-5-7(10)4-13;8-6-2-1-5(4-10)7(3-6)9(11)12;1-7(2,3)11-6(10)9-5-4-8;8-6(9)5-3-1-2-4-7-5;1-2-8-5(7)3-4-6/h7-10,14-16,23H,4-6,11-13H2,1-3H3,(H2,27,30)(H,28,33);1-8,11-13H,9-10H2,(H2,23,27)(H,25,30)(H,26,28);4-5,8,10-11H,6-7H2,1-3H3,(H,21,24);4-5,8-10H,6-7H2,1-3H3,(H2,20,22)(H,21,24);1-3,5,7-9H,4,6,17H2,(H2,18,20)(H,19,21);8-9,12H,5-7,10H2,1-4H3;3-6H,2H2,1H3;1-3,5-6,14H;1-4H;4-5H2,1-3H3,(H,9,10);1-4H,(H,8,9);2-3H2,1H3/b;;;;;;9-5-;;;;;.
What are the key properties of 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid?
2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid has a molecular weight of 3592.66 g/mol, XLogP of 31.50, 36 rotatable bonds, 14 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-4-amine;N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrrolo[3,4-c]quinolin-2-yl]ethyl]pyridine-2-carboxamide;4-bromo-2-nitrobenzaldehyde;4-(4-bromo-2-nitrophenyl)-1H-pyrrole-3-carbonitrile;tert-butyl N-[2-(4-amino-7-bromopyrrolo[3,4-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-[4-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,4-c]quinolin-2-yl]ethyl]carbamate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-[3-(4-bromo-2-nitrophenyl)-4-cyanopyrrol-1-yl]ethyl]carbamate;ethyl (Z)-3-(4-bromo-2-nitrophenyl)-2-cyanoprop-2-enoate;ethyl 2-cyanoacetate;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;pyridine-2-carboxylic acid is sourced from PubChem (CID 159554352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).