sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride

C189H249BBrClF3N32NaO14 — CID 160796905

About sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride

sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride (PubChem CID 160796905) has the molecular formula C189H249BBrClF3N32NaO14 and a molecular weight of 3399.43 g/mol. Its IUPAC name is sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride
• PubChem CID: 160796905
• Molecular Formula: C189H249BBrClF3N32NaO14
• Molecular Weight: 3399.43 g/mol
• Exact Mass: 3395.86
• IUPAC Name: sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride
• SMILES: CC1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(=O)[nH]c(C)c4ccccc34)cc3c(-c4ccc(N5CCC(C)CC5)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(=O)[nH]c(C)c4ccccc34)cc3c(-c4ccc(N5CCC(N)CC5)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(N5CCC(C)CC5)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(N5CCC(C)CC5)nc4)ccn23)CC1.Cc1[nH]c(=O)c(CN)c2ccccc12.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cl.[Na+].[OH-]
• InChI: InChI=1S/C40H49N7O2.C39H48N8O2.C32H45N5O2.C29H39N5O2.C21H27BrF3N3O2.C17H27BN2O2.C11H12N2O.ClH.Na.H2O/c1-6-44-19-21-45(22-20-44)29(5)38-27(3)34(39(48)42-25-35-33-10-8-7-9-31(33)28(4)43-40(35)49)23-36-32(15-18-47(36)38)30-11-12-37(41-24-30)46-16-13-26(2)14-17-46;1-5-44-18-20-45(21-19-44)27(4)37-25(2)33(38(48)42-24-34-32-9-7-6-8-30(32)26(3)43-39(34)49)22-35-31(14-17-47(35)37)28-10-11-36(41-23-28)46-15-12-29(40)13-16-46;1-7-34-16-18-35(19-17-34)25(6)31-24(5)28(32(38)39-22(2)3)20-29-27(12-15-37(29)31)26-8-9-30(33-21-26)36-13-10-23(4)11-14-36;1-5-31-14-16-32(17-15-31)22(4)28-21(3)25(29(35)36)18-26-24(10-13-34(26)28)23-6-7-27(30-19-23)33-11-8-20(2)9-12-33;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;1-13-8-10-20(11-9-13)15-7-6-14(12-19-15)18-21-16(2,3)17(4,5)22-18;1-7-8-4-2-3-5-9(8)10(6-12)11(14)13-7;;;/h7-12,15,18,23-24,26,29H,6,13-14,16-17,19-22,25H2,1-5H3,(H,42,48)(H,43,49);6-11,14,17,22-23,27,29H,5,12-13,15-16,18-21,24,40H2,1-4H3,(H,42,48)(H,43,49);8-9,12,15,20-23,25H,7,10-11,13-14,16-19H2,1-6H3;6-7,10,13,18-20,22H,5,8-9,11-12,14-17H2,1-4H3,(H,35,36);5-6,11,13,15H,7-10,12H2,1-4H3;6-7,12-13H,8-11H2,1-5H3;2-5H,6,12H2,1H3,(H,13,14);1H;;1H2/q;;;;;;;;+1;/p-1
• InChIKey: FLZDFIHVFIBIDL-UHFFFAOYSA-M
• XLogP: 28.07
• TPSA: 482.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3399.43
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride?

The IUPAC name of sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride (CID 160796905) is sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride.

What is the SMILES notation for sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride?

The canonical SMILES for sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride is CC1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(=O)[nH]c(C)c4ccccc34)cc3c(-c4ccc(N5CCC(C)CC5)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(=O)[nH]c(C)c4ccccc34)cc3c(-c4ccc(N5CCC(N)CC5)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(N5CCC(C)CC5)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(N5CCC(C)CC5)nc4)ccn23)CC1.Cc1[nH]c(=O)c(CN)c2ccccc12.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cl.[Na+].[OH-].

What is the InChIKey of sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride?

The InChIKey is FLZDFIHVFIBIDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H49N7O2.C39H48N8O2.C32H45N5O2.C29H39N5O2.C21H27BrF3N3O2.C17H27BN2O2.C11H12N2O.ClH.Na.H2O/c1-6-44-19-21-45(22-20-44)29(5)38-27(3)34(39(48)42-25-35-33-10-8-7-9-31(33)28(4)43-40(35)49)23-36-32(15-18-47(36)38)30-11-12-37(41-24-30)46-16-13-26(2)14-17-46;1-5-44-18-20-45(21-19-44)27(4)37-25(2)33(38(48)42-24-34-32-9-7-6-8-30(32)26(3)43-39(34)49)22-35-31(14-17-47(35)37)28-10-11-36(41-23-28)46-15-12-29(40)13-16-46;1-7-34-16-18-35(19-17-34)25(6)31-24(5)28(32(38)39-22(2)3)20-29-27(12-15-37(29)31)26-8-9-30(33-21-26)36-13-10-23(4)11-14-36;1-5-31-14-16-32(17-15-31)22(4)28-21(3)25(29(35)36)18-26-24(10-13-34(26)28)23-6-7-27(30-19-23)33-11-8-20(2)9-12-33;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;1-13-8-10-20(11-9-13)15-7-6-14(12-19-15)18-21-16(2,3)17(4,5)22-18;1-7-8-4-2-3-5-9(8)10(6-12)11(14)13-7;;;/h7-12,15,18,23-24,26,29H,6,13-14,16-17,19-22,25H2,1-5H3,(H,42,48)(H,43,49);6-11,14,17,22-23,27,29H,5,12-13,15-16,18-21,24,40H2,1-4H3,(H,42,48)(H,43,49);8-9,12,15,20-23,25H,7,10-11,13-14,16-19H2,1-6H3;6-7,10,13,18-20,22H,5,8-9,11-12,14-17H2,1-4H3,(H,35,36);5-6,11,13,15H,7-10,12H2,1-4H3;6-7,12-13H,8-11H2,1-5H3;2-5H,6,12H2,1H3,(H,13,14);1H;;1H2/q;;;;;;;;+1;/p-1.

What are the key properties of sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride?

sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride has a molecular weight of 3399.43 g/mol, XLogP of 28.07, 37 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-(aminomethyl)-1-methyl-2H-isoquinolin-3-one;1-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[(1-methyl-3-oxo-2H-isoquinolin-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylic acid;2-(4-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;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-(4-methylpiperidin-1-yl)-3-pyridinyl]indolizine-7-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 160796905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).