sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide

C120H156BBrClF6N22NaO14 — CID 159693773

IUPACsodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide
SMILESCCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(NC)cc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(NC)cc4)ccn23)CC1.CNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)cn1.CNc1ccc(B(O)O)cn1.COc1cc(C)[nH]c(=O)c1CNCl.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.[Na+].[OH-]
InChIInChI=1S/C32H38F3N7O3.C28H38N4O2.C25H32N4O2.C21H27BrF3N3O2.C8H11ClN2O2.C6H9BN2O2.Na.H2O/c1-19-14-27(45-5)25(31(44)39-19)17-38-30(43)24-15-26-23(22-6-7-28(36-4)37-16-22)8-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35;1-7-30-14-16-31(17-15-30)21(5)27-20(4)25(28(33)34-19(2)3)18-26-24(12-13-32(26)27)22-8-10-23(29-6)11-9-22;1-5-27-12-14-28(15-13-27)18(3)24-17(2)22(25(30)31)16-23-21(10-11-29(23)24)19-6-8-20(26-4)9-7-19;1-13(2)30-20(29)16-11-18-17(22)5-6-28(18)19(14(16)3)15(4)27-9-7-26(8-10-27)12-21(23,24)25;1-5-3-7(13-2)6(4-10-9)8(12)11-5;1-8-6-3-2-5(4-9-6)7(10)11;;/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,36,37)(H,38,43)(H,39,44);8-13,18-19,21,29H,7,14-17H2,1-6H3;6-11,16,18,26H,5,12-15H2,1-4H3,(H,30,31);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);2-4,10-11H,1H3,(H,8,9);;1H2/q;;;;;;+1;/p-1
InChIKeyMWSWOFLDWKOPNA-UHFFFAOYSA-M
MW2393.85 g/mol
LogP15.48
Rot. Bonds32

About sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide

sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide (PubChem CID 159693773) has the molecular formula C120H156BBrClF6N22NaO14 and a molecular weight of 2393.85 g/mol. Its IUPAC name is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide.

Molecular Properties

Compound Namesodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide
PubChem CID159693773
Molecular FormulaC120H156BBrClF6N22NaO14
Molecular Weight2393.85 g/mol
Exact Mass2391.09
IUPAC Namesodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide
SMILESCCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(NC)cc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(NC)cc4)ccn23)CC1.CNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)cn1.CNc1ccc(B(O)O)cn1.COc1cc(C)[nH]c(=O)c1CNCl.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.[Na+].[OH-]
InChIInChI=1S/C32H38F3N7O3.C28H38N4O2.C25H32N4O2.C21H27BrF3N3O2.C8H11ClN2O2.C6H9BN2O2.Na.H2O/c1-19-14-27(45-5)25(31(44)39-19)17-38-30(43)24-15-26-23(22-6-7-28(36-4)37-16-22)8-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35;1-7-30-14-16-31(17-15-30)21(5)27-20(4)25(28(33)34-19(2)3)18-26-24(12-13-32(26)27)22-8-10-23(29-6)11-9-22;1-5-27-12-14-28(15-13-27)18(3)24-17(2)22(25(30)31)16-23-21(10-11-29(23)24)19-6-8-20(26-4)9-7-19;1-13(2)30-20(29)16-11-18-17(22)5-6-28(18)19(14(16)3)15(4)27-9-7-26(8-10-27)12-21(23,24)25;1-5-3-7(13-2)6(4-10-9)8(12)11-5;1-8-6-3-2-5(4-9-6)7(10)11;;/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,36,37)(H,38,43)(H,39,44);8-13,18-19,21,29H,7,14-17H2,1-6H3;6-11,16,18,26H,5,12-15H2,1-4H3,(H,30,31);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);2-4,10-11H,1H3,(H,8,9);;1H2/q;;;;;;+1;/p-1
InChIKeyMWSWOFLDWKOPNA-UHFFFAOYSA-M
XLogP15.48
TPSA403.13 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002393.85
LogP ≤ 515.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide with MolForge

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Related Compounds

3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride
CID 157245152
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylindolizine-7-carboxylic acid;ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylindolizine-7-carboxylate;hydrochloride
CID 157301092
CID 157414757
CID 157414757
sodium;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;propan-2-yl 1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide
CID 157500178
1-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 157511555
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 157884508
sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide
CID 158361446
sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-3-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)indolizine-7-carboxylate;hydroxide
CID 158361913
sodium;tert-butyl 4-oxopiperidine-1-carboxylate;ethyl 5-acetyl-1-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;ethyl 5-(1-cyclohexylideneethyl)-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;ethyl 5-[1-(1-ethylpiperidin-4-ylidene)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;2,2,2-trifluoroethyl trifluoromethanesulfonate;hydroxide
CID 158701791
sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylate;hydroxide
CID 158764852
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;1-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;1-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;hydrochloride
CID 158910214
sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-[2-(dimethylamino)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;(2-fluoro-3-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 1-[2-(dimethylamino)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-3-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide
CID 159094976

Frequently Asked Questions

What is the IUPAC name of sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide?
The IUPAC name of sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide (CID 159693773) is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide.
What is the SMILES notation for sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide?
The canonical SMILES for sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide is CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(NC)cc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(NC)cc4)ccn23)CC1.CNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)cn1.CNc1ccc(B(O)O)cn1.COc1cc(C)[nH]c(=O)c1CNCl.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.[Na+].[OH-].
What is the InChIKey of sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide?
The InChIKey is MWSWOFLDWKOPNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H38F3N7O3.C28H38N4O2.C25H32N4O2.C21H27BrF3N3O2.C8H11ClN2O2.C6H9BN2O2.Na.H2O/c1-19-14-27(45-5)25(31(44)39-19)17-38-30(43)24-15-26-23(22-6-7-28(36-4)37-16-22)8-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35;1-7-30-14-16-31(17-15-30)21(5)27-20(4)25(28(33)34-19(2)3)18-26-24(12-13-32(26)27)22-8-10-23(29-6)11-9-22;1-5-27-12-14-28(15-13-27)18(3)24-17(2)22(25(30)31)16-23-21(10-11-29(23)24)19-6-8-20(26-4)9-7-19;1-13(2)30-20(29)16-11-18-17(22)5-6-28(18)19(14(16)3)15(4)27-9-7-26(8-10-27)12-21(23,24)25;1-5-3-7(13-2)6(4-10-9)8(12)11-5;1-8-6-3-2-5(4-9-6)7(10)11;;/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,36,37)(H,38,43)(H,39,44);8-13,18-19,21,29H,7,14-17H2,1-6H3;6-11,16,18,26H,5,12-15H2,1-4H3,(H,30,31);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);2-4,10-11H,1H3,(H,8,9);;1H2/q;;;;;;+1;/p-1.
What are the key properties of sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide?
sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide has a molecular weight of 2393.85 g/mol, XLogP of 15.48, 32 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-pyridinyl]boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[4-(methylamino)phenyl]indolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 159693773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).