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

C97H125ClF6N16O9 — CID 159369975

About 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

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 (PubChem CID 159369975) has the molecular formula C97H125ClF6N16O9 and a molecular weight of 1808.61 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159369975
• Molecular Formula: C97H125ClF6N16O9
• Molecular Weight: 1808.61 g/mol
• Exact Mass: 1806.94
• IUPAC Name: 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
• SMILES: CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(C(C)C)c4)ccn23)CC1.COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc(C(C)C)c3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.Cc1c(C(=O)O)cc2c(-c3ccnc(C(C)C)c3)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cl
• InChI: InChI=1S/C34H41F3N6O3.C29H40N4O2.C26H31F3N4O2.C8H12N2O2.ClH/c1-20(2)28-16-24(7-9-38-28)25-8-10-43-29(25)17-26(32(44)39-18-27-30(46-6)15-21(3)40-33(27)45)22(4)31(43)23(5)42-13-11-41(12-14-42)19-34(35,36)37;1-8-31-13-15-32(16-14-31)22(7)28-21(6)25(29(34)35-20(4)5)18-27-24(10-12-33(27)28)23-9-11-30-26(17-23)19(2)3;1-16(2)22-13-19(5-7-30-22)20-6-8-33-23(20)14-21(25(34)35)17(3)24(33)18(4)32-11-9-31(10-12-32)15-26(27,28)29;1-5-3-7(12-2)6(4-9)8(11)10-5;/h7-10,15-17,20,23H,11-14,18-19H2,1-6H3,(H,39,44)(H,40,45);9-12,17-20,22H,8,13-16H2,1-7H3;5-8,13-14,16,18H,9-12,15H2,1-4H3,(H,34,35);3H,4,9H2,1-2H3,(H,10,11);1H
• InChIKey: PMUSNLRNAKVKTN-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 274.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1808.61
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(C(C)C)c4)ccn23)CC1.COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc(C(C)C)c3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.Cc1c(C(=O)O)cc2c(-c3ccnc(C(C)C)c3)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cl.

What is the InChIKey of 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?

The InChIKey is PMUSNLRNAKVKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F3N6O3.C29H40N4O2.C26H31F3N4O2.C8H12N2O2.ClH/c1-20(2)28-16-24(7-9-38-28)25-8-10-43-29(25)17-26(32(44)39-18-27-30(46-6)15-21(3)40-33(27)45)22(4)31(43)23(5)42-13-11-41(12-14-42)19-34(35,36)37;1-8-31-13-15-32(16-14-31)22(7)28-21(6)25(29(34)35-20(4)5)18-27-24(10-12-33(27)28)23-9-11-30-26(17-23)19(2)3;1-16(2)22-13-19(5-7-30-22)20-6-8-33-23(20)14-21(25(34)35)17(3)24(33)18(4)32-11-9-31(10-12-32)15-26(27,28)29;1-5-3-7(12-2)6(4-9)8(11)10-5;/h7-10,15-17,20,23H,11-14,18-19H2,1-6H3,(H,39,44)(H,40,45);9-12,17-20,22H,8,13-16H2,1-7H3;5-8,13-14,16,18H,9-12,15H2,1-4H3,(H,34,35);3H,4,9H2,1-2H3,(H,10,11);1H.

What are the key properties of 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?

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 has a molecular weight of 1808.61 g/mol, XLogP of 17.25, 24 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159369975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).