sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide

C90H128Br4F2N13NaO15 — CID 158212857

IUPACsodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide
SMILESC.C.C.Cc1c(C(=O)O)cc2cc(Br)cn2c1C(C)N1CCN(C(=O)CO)CC1.Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCCCC1.Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCN(C(=O)CO)CC1.Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCN(C(=O)CO)CC3)c2C)c(=O)[nH]1.[2H]CF.[2H]CF.[Na+].[OH-]
InChIInChI=1S/C26H32BrN5O4.C21H28BrN3O4.C20H27BrN2O2.C18H22BrN3O4.2CH3F.3CH4.Na.H2O/c1-15-9-16(2)29-26(36)22(15)12-28-25(35)21-11-20-10-19(27)13-32(20)24(17(21)3)18(4)30-5-7-31(8-6-30)23(34)14-33;1-13(2)29-21(28)18-10-17-9-16(22)11-25(17)20(14(18)3)15(4)23-5-7-24(8-6-23)19(27)12-26;1-13(2)25-20(24)18-11-17-10-16(21)12-23(17)19(14(18)3)15(4)22-8-6-5-7-9-22;1-11-15(18(25)26)8-14-7-13(19)9-22(14)17(11)12(2)20-3-5-21(6-4-20)16(24)10-23;2*1-2;;;;;/h9-11,13,18,33H,5-8,12,14H2,1-4H3,(H,28,35)(H,29,36);9-11,13,15,26H,5-8,12H2,1-4H3;10-13,15H,5-9H2,1-4H3;7-9,12,23H,3-6,10H2,1-2H3,(H,25,26);2*1H3;3*1H4;;1H2/q;;;;;;;;;+1;/p-1/i;;;;2*1D;;;;;
InChIKeyGCHBRGPHBCRLCS-NPBPVAHNSA-M
MW2014.70 g/mol
LogP12.15
Rot. Bonds19

About sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide

sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide (PubChem CID 158212857) has the molecular formula C90H128Br4F2N13NaO15 and a molecular weight of 2014.70 g/mol. Its IUPAC name is sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide.

Molecular Properties

Compound Namesodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide
PubChem CID158212857
Molecular FormulaC90H128Br4F2N13NaO15
Molecular Weight2014.70 g/mol
Exact Mass2009.64
IUPAC Namesodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide
SMILESC.C.C.Cc1c(C(=O)O)cc2cc(Br)cn2c1C(C)N1CCN(C(=O)CO)CC1.Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCCCC1.Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCN(C(=O)CO)CC1.Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCN(C(=O)CO)CC3)c2C)c(=O)[nH]1.[2H]CF.[2H]CF.[Na+].[OH-]
InChIInChI=1S/C26H32BrN5O4.C21H28BrN3O4.C20H27BrN2O2.C18H22BrN3O4.2CH3F.3CH4.Na.H2O/c1-15-9-16(2)29-26(36)22(15)12-28-25(35)21-11-20-10-19(27)13-32(20)24(17(21)3)18(4)30-5-7-31(8-6-30)23(34)14-33;1-13(2)29-21(28)18-10-17-9-16(22)11-25(17)20(14(18)3)15(4)23-5-7-24(8-6-23)19(27)12-26;1-13(2)25-20(24)18-11-17-10-16(21)12-23(17)19(14(18)3)15(4)22-8-6-5-7-9-22;1-11-15(18(25)26)8-14-7-13(19)9-22(14)17(11)12(2)20-3-5-21(6-4-20)16(24)10-23;2*1-2;;;;;/h9-11,13,18,33H,5-8,12,14H2,1-4H3,(H,28,35)(H,29,36);9-11,13,15,26H,5-8,12H2,1-4H3;10-13,15H,5-9H2,1-4H3;7-9,12,23H,3-6,10H2,1-2H3,(H,25,26);2*1H3;3*1H4;;1H2/q;;;;;;;;;+1;/p-1/i;;;;2*1D;;;;;
InChIKeyGCHBRGPHBCRLCS-NPBPVAHNSA-M
XLogP12.15
TPSA334.08 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002014.70
LogP ≤ 512.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide with MolForge

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Related Compounds

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
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;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]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]indolizine-7-carboxamide;6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide
CID 159040177
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-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 159043135
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
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)indolizine-7-carboxylate;hydrochloride
CID 159369975
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methylpyridazin-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(6-methylpyridazin-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(6-methyl-3,4,5,6-tetrahydropyridazin-3-yl)indolizine-7-carboxylate;hydrochloride
CID 159627072
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

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide?
The IUPAC name of sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide (CID 158212857) is sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide.
What is the SMILES notation for sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide?
The canonical SMILES for sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide is C.C.C.Cc1c(C(=O)O)cc2cc(Br)cn2c1C(C)N1CCN(C(=O)CO)CC1.Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCCCC1.Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCN(C(=O)CO)CC1.Cc1cc(C)c(CNC(=O)c2cc3cc(Br)cn3c(C(C)N3CCN(C(=O)CO)CC3)c2C)c(=O)[nH]1.[2H]CF.[2H]CF.[Na+].[OH-].
What is the InChIKey of sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide?
The InChIKey is GCHBRGPHBCRLCS-NPBPVAHNSA-M. The full InChI is InChI=1S/C26H32BrN5O4.C21H28BrN3O4.C20H27BrN2O2.C18H22BrN3O4.2CH3F.3CH4.Na.H2O/c1-15-9-16(2)29-26(36)22(15)12-28-25(35)21-11-20-10-19(27)13-32(20)24(17(21)3)18(4)30-5-7-31(8-6-30)23(34)14-33;1-13(2)29-21(28)18-10-17-9-16(22)11-25(17)20(14(18)3)15(4)23-5-7-24(8-6-23)19(27)12-26;1-13(2)25-20(24)18-11-17-10-16(21)12-23(17)19(14(18)3)15(4)22-8-6-5-7-9-22;1-11-15(18(25)26)8-14-7-13(19)9-22(14)17(11)12(2)20-3-5-21(6-4-20)16(24)10-23;2*1-2;;;;;/h9-11,13,18,33H,5-8,12,14H2,1-4H3,(H,28,35)(H,29,36);9-11,13,15,26H,5-8,12H2,1-4H3;10-13,15H,5-9H2,1-4H3;7-9,12,23H,3-6,10H2,1-2H3,(H,25,26);2*1H3;3*1H4;;1H2/q;;;;;;;;;+1;/p-1/i;;;;2*1D;;;;;.
What are the key properties of sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide?
sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide has a molecular weight of 2014.70 g/mol, XLogP of 12.15, 19 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxamide;2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;deuterio(fluoro)methane;methane;propan-2-yl 2-bromo-5-[1-[4-(2-hydroxyacetyl)piperazin-1-yl]ethyl]-6-methylindolizine-7-carboxylate;propan-2-yl 2-bromo-6-methyl-5-(1-piperidin-1-ylethyl)indolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 158212857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).