potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride

C169H206Br3Cl8KN28O12Si4 — CID 161163893

IUPACpotassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2c(Cl)cnc3[nH]c(-c4ccc(N5CCN(C)CC5)cc4)cc23)c1.C=CC(=O)Nc1cccc(Oc2c(Cl)cnc3c2cc(-c2ccc(N4CCN(C)CC4)cc2)n3COCC[Si](C)(C)C)c1.CC(C)(C)[O-].CN1CCN(c2ccc(-c3cc4c(Br)c(Cl)cnc4[nH]3)cc2)CC1.CN1CCN(c2ccc(-c3cc4c(Br)c(Cl)cnc4n3COCC[Si](C)(C)C)cc2)CC1.CN1CCN(c2ccc(-c3cc4c(Oc5cccc(N)c5)c(Cl)cnc4n3COCC[Si](C)(C)C)cc2)CC1.CN1CCN(c2ccc(C#Cc3c(N)ncc(Cl)c3Br)cc2)CC1.C[Si](C)(C)CCOCCl.Nc1cccc(O)c1.[K+]
InChIInChI=1S/C33H40ClN5O3Si.C30H38ClN5O2Si.C27H26ClN5O2.C24H32BrClN4OSi.2C18H18BrClN4.C6H15ClOSi.C6H7NO.C4H9O.C3H3ClO.K/c1-6-31(40)36-25-8-7-9-27(20-25)42-32-28-21-30(24-10-12-26(13-11-24)38-16-14-37(2)15-17-38)39(33(28)35-22-29(32)34)23-41-18-19-43(3,4)5;1-34-12-14-35(15-13-34)24-10-8-22(9-11-24)28-19-26-29(38-25-7-5-6-23(32)18-25)27(31)20-33-30(26)36(28)21-37-16-17-39(2,3)4;1-3-25(34)30-19-5-4-6-21(15-19)35-26-22-16-24(31-27(22)29-17-23(26)28)18-7-9-20(10-8-18)33-13-11-32(2)12-14-33;1-28-9-11-29(12-10-28)19-7-5-18(6-8-19)22-15-20-23(25)21(26)16-27-24(20)30(22)17-31-13-14-32(2,3)4;1-23-6-8-24(9-7-23)13-4-2-12(3-5-13)16-10-14-17(19)15(20)11-21-18(14)22-16;1-23-8-10-24(11-9-23)14-5-2-13(3-6-14)4-7-15-17(19)16(20)12-22-18(15)21;1-9(2,3)5-4-8-6-7;7-5-2-1-3-6(8)4-5;1-4(2,3)5;1-2-3(4)5;/h6-13,20-22H,1,14-19,23H2,2-5H3,(H,36,40);5-11,18-20H,12-17,21,32H2,1-4H3;3-10,15-17H,1,11-14H2,2H3,(H,29,31)(H,30,34);5-8,15-16H,9-14,17H2,1-4H3;2-5,10-11H,6-9H2,1H3,(H,21,22);2-3,5-6,12H,8-11H2,1H3,(H2,21,22);4-6H2,1-3H3;1-4,8H,7H2;1-3H3;2H,1H2;/q;;;;;;;;-1;;+1
InChIKeyUQGVDRXTIMXBHM-UHFFFAOYSA-N
MW3496.47 g/mol
LogP35.10
Rot. Bonds41

About potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride

potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride (PubChem CID 161163893) has the molecular formula C169H206Br3Cl8KN28O12Si4 and a molecular weight of 3496.47 g/mol. Its IUPAC name is potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride.

Molecular Properties

Compound Namepotassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride
PubChem CID161163893
Molecular FormulaC169H206Br3Cl8KN28O12Si4
Molecular Weight3496.47 g/mol
Exact Mass3487.01
IUPAC Namepotassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2c(Cl)cnc3[nH]c(-c4ccc(N5CCN(C)CC5)cc4)cc23)c1.C=CC(=O)Nc1cccc(Oc2c(Cl)cnc3c2cc(-c2ccc(N4CCN(C)CC4)cc2)n3COCC[Si](C)(C)C)c1.CC(C)(C)[O-].CN1CCN(c2ccc(-c3cc4c(Br)c(Cl)cnc4[nH]3)cc2)CC1.CN1CCN(c2ccc(-c3cc4c(Br)c(Cl)cnc4n3COCC[Si](C)(C)C)cc2)CC1.CN1CCN(c2ccc(-c3cc4c(Oc5cccc(N)c5)c(Cl)cnc4n3COCC[Si](C)(C)C)cc2)CC1.CN1CCN(c2ccc(C#Cc3c(N)ncc(Cl)c3Br)cc2)CC1.C[Si](C)(C)CCOCCl.Nc1cccc(O)c1.[K+]
InChIInChI=1S/C33H40ClN5O3Si.C30H38ClN5O2Si.C27H26ClN5O2.C24H32BrClN4OSi.2C18H18BrClN4.C6H15ClOSi.C6H7NO.C4H9O.C3H3ClO.K/c1-6-31(40)36-25-8-7-9-27(20-25)42-32-28-21-30(24-10-12-26(13-11-24)38-16-14-37(2)15-17-38)39(33(28)35-22-29(32)34)23-41-18-19-43(3,4)5;1-34-12-14-35(15-13-34)24-10-8-22(9-11-24)28-19-26-29(38-25-7-5-6-23(32)18-25)27(31)20-33-30(26)36(28)21-37-16-17-39(2,3)4;1-3-25(34)30-19-5-4-6-21(15-19)35-26-22-16-24(31-27(22)29-17-23(26)28)18-7-9-20(10-8-18)33-13-11-32(2)12-14-33;1-28-9-11-29(12-10-28)19-7-5-18(6-8-19)22-15-20-23(25)21(26)16-27-24(20)30(22)17-31-13-14-32(2,3)4;1-23-6-8-24(9-7-23)13-4-2-12(3-5-13)16-10-14-17(19)15(20)11-21-18(14)22-16;1-23-8-10-24(11-9-23)14-5-2-13(3-6-14)4-7-15-17(19)16(20)12-22-18(15)21;1-9(2,3)5-4-8-6-7;7-5-2-1-3-6(8)4-5;1-4(2,3)5;1-2-3(4)5;/h6-13,20-22H,1,14-19,23H2,2-5H3,(H,36,40);5-11,18-20H,12-17,21,32H2,1-4H3;3-10,15-17H,1,11-14H2,2H3,(H,29,31)(H,30,34);5-8,15-16H,9-14,17H2,1-4H3;2-5,10-11H,6-9H2,1H3,(H,21,22);2-3,5-6,12H,8-11H2,1H3,(H2,21,22);4-6H2,1-3H3;1-4,8H,7H2;1-3H3;2H,1H2;/q;;;;;;;;-1;;+1
InChIKeyUQGVDRXTIMXBHM-UHFFFAOYSA-N
XLogP35.10
TPSA423.82 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds41
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003496.47
LogP ≤ 535.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride?
The IUPAC name of potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride (CID 161163893) is potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride.
What is the SMILES notation for potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride?
The canonical SMILES for potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cccc(Oc2c(Cl)cnc3[nH]c(-c4ccc(N5CCN(C)CC5)cc4)cc23)c1.C=CC(=O)Nc1cccc(Oc2c(Cl)cnc3c2cc(-c2ccc(N4CCN(C)CC4)cc2)n3COCC[Si](C)(C)C)c1.CC(C)(C)[O-].CN1CCN(c2ccc(-c3cc4c(Br)c(Cl)cnc4[nH]3)cc2)CC1.CN1CCN(c2ccc(-c3cc4c(Br)c(Cl)cnc4n3COCC[Si](C)(C)C)cc2)CC1.CN1CCN(c2ccc(-c3cc4c(Oc5cccc(N)c5)c(Cl)cnc4n3COCC[Si](C)(C)C)cc2)CC1.CN1CCN(c2ccc(C#Cc3c(N)ncc(Cl)c3Br)cc2)CC1.C[Si](C)(C)CCOCCl.Nc1cccc(O)c1.[K+].
What is the InChIKey of potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride?
The InChIKey is UQGVDRXTIMXBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40ClN5O3Si.C30H38ClN5O2Si.C27H26ClN5O2.C24H32BrClN4OSi.2C18H18BrClN4.C6H15ClOSi.C6H7NO.C4H9O.C3H3ClO.K/c1-6-31(40)36-25-8-7-9-27(20-25)42-32-28-21-30(24-10-12-26(13-11-24)38-16-14-37(2)15-17-38)39(33(28)35-22-29(32)34)23-41-18-19-43(3,4)5;1-34-12-14-35(15-13-34)24-10-8-22(9-11-24)28-19-26-29(38-25-7-5-6-23(32)18-25)27(31)20-33-30(26)36(28)21-37-16-17-39(2,3)4;1-3-25(34)30-19-5-4-6-21(15-19)35-26-22-16-24(31-27(22)29-17-23(26)28)18-7-9-20(10-8-18)33-13-11-32(2)12-14-33;1-28-9-11-29(12-10-28)19-7-5-18(6-8-19)22-15-20-23(25)21(26)16-27-24(20)30(22)17-31-13-14-32(2,3)4;1-23-6-8-24(9-7-23)13-4-2-12(3-5-13)16-10-14-17(19)15(20)11-21-18(14)22-16;1-23-8-10-24(11-9-23)14-5-2-13(3-6-14)4-7-15-17(19)16(20)12-22-18(15)21;1-9(2,3)5-4-8-6-7;7-5-2-1-3-6(8)4-5;1-4(2,3)5;1-2-3(4)5;/h6-13,20-22H,1,14-19,23H2,2-5H3,(H,36,40);5-11,18-20H,12-17,21,32H2,1-4H3;3-10,15-17H,1,11-14H2,2H3,(H,29,31)(H,30,34);5-8,15-16H,9-14,17H2,1-4H3;2-5,10-11H,6-9H2,1H3,(H,21,22);2-3,5-6,12H,8-11H2,1H3,(H2,21,22);4-6H2,1-3H3;1-4,8H,7H2;1-3H3;2H,1H2;/q;;;;;;;;-1;;+1.
What are the key properties of potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride?
potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride has a molecular weight of 3496.47 g/mol, XLogP of 35.10, 41 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-aminophenol;4-bromo-5-chloro-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]pyridin-2-amine;4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-bromo-5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane;N-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]prop-2-enamide;3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyaniline;N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]prop-2-enamide;2-methylpropan-2-olate;prop-2-enoyl chloride is sourced from PubChem (CID 161163893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).