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

C96H123ClF9N19O9 — CID 157301092

About 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

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 (PubChem CID 157301092) has the molecular formula C96H123ClF9N19O9 and a molecular weight of 1893.60 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157301092
• Molecular Formula: C96H123ClF9N19O9
• Molecular Weight: 1893.60 g/mol
• Exact Mass: 1891.93
• IUPAC Name: 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
• SMILES: CCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ccn12)C1CCN(CC(F)(F)F)CC1.CCN(c1c(C)c(C(=O)O)cc2c(-c3ccnc(N(C)C)c3)ccn12)C1CCN(CC(F)(F)F)CC1.CCOC(=O)c1cc2c(-c3ccnc(N(C)C)c3)ccn2c(N(CC)C2CCN(CC(F)(F)F)CC2)c1C.COc1cc(C)[nH]c(=O)c1CN.Cl
• InChI: InChI=1S/C34H42F3N7O3.C28H36F3N5O2.C26H32F3N5O2.C8H12N2O2.ClH/c1-7-43(24-9-13-42(14-10-24)20-34(35,36)37)33-22(3)26(31(45)39-19-27-29(47-6)16-21(2)40-32(27)46)18-28-25(11-15-44(28)33)23-8-12-38-30(17-23)41(4)5;1-6-35(21-9-13-34(14-10-21)18-28(29,30)31)26-19(3)23(27(37)38-7-2)17-24-22(11-15-36(24)26)20-8-12-32-25(16-20)33(4)5;1-5-33(19-7-11-32(12-8-19)16-26(27,28)29)24-17(2)21(25(35)36)15-22-20(9-13-34(22)24)18-6-10-30-23(14-18)31(3)4;1-5-3-7(12-2)6(4-9)8(11)10-5;/h8,11-12,15-18,24H,7,9-10,13-14,19-20H2,1-6H3,(H,39,45)(H,40,46);8,11-12,15-17,21H,6-7,9-10,13-14,18H2,1-5H3;6,9-10,13-15,19H,5,7-8,11-12,16H2,1-4H3,(H,35,36);3H,4,9H2,1-2H3,(H,10,11);1H
• InChIKey: QYIKFCHPLPLGRO-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 283.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1893.60
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCN(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccnc(N(C)C)c3)ccn12)C1CCN(CC(F)(F)F)CC1.CCN(c1c(C)c(C(=O)O)cc2c(-c3ccnc(N(C)C)c3)ccn12)C1CCN(CC(F)(F)F)CC1.CCOC(=O)c1cc2c(-c3ccnc(N(C)C)c3)ccn2c(N(CC)C2CCN(CC(F)(F)F)CC2)c1C.COc1cc(C)[nH]c(=O)c1CN.Cl.

What is the InChIKey of 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?

The InChIKey is QYIKFCHPLPLGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42F3N7O3.C28H36F3N5O2.C26H32F3N5O2.C8H12N2O2.ClH/c1-7-43(24-9-13-42(14-10-24)20-34(35,36)37)33-22(3)26(31(45)39-19-27-29(47-6)16-21(2)40-32(27)46)18-28-25(11-15-44(28)33)23-8-12-38-30(17-23)41(4)5;1-6-35(21-9-13-34(14-10-21)18-28(29,30)31)26-19(3)23(27(37)38-7-2)17-24-22(11-15-36(24)26)20-8-12-32-25(16-20)33(4)5;1-5-33(19-7-11-32(12-8-19)16-26(27,28)29)24-17(2)21(25(35)36)15-22-20(9-13-34(22)24)18-6-10-30-23(14-18)31(3)4;1-5-3-7(12-2)6(4-9)8(11)10-5;/h8,11-12,15-18,24H,7,9-10,13-14,19-20H2,1-6H3,(H,39,45)(H,40,46);8,11-12,15-17,21H,6-7,9-10,13-14,18H2,1-5H3;6,9-10,13-15,19H,5,7-8,11-12,16H2,1-4H3,(H,35,36);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;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?

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 has a molecular weight of 1893.60 g/mol, XLogP of 16.07, 27 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157301092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).