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

C97H119ClF6N16O9 — CID 158910214

About 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

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 (PubChem CID 158910214) has the molecular formula C97H119ClF6N16O9 and a molecular weight of 1802.56 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158910214
• Molecular Formula: C97H119ClF6N16O9
• Molecular Weight: 1802.56 g/mol
• Exact Mass: 1800.89
• IUPAC Name: 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
• SMILES: CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc5c4CCC5)ccn23)CC1.COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc4c3CCC4)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.Cc1c(C(=O)O)cc2c(-c3ccnc4c3CCC4)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cl
• InChI: InChI=1S/C34H39F3N6O3.C29H38N4O2.C26H29F3N4O2.C8H12N2O2.ClH/c1-20-16-30(46-4)27(33(45)40-20)18-39-32(44)26-17-29-25(23-8-10-38-28-7-5-6-24(23)28)9-11-43(29)31(21(26)2)22(3)42-14-12-41(13-15-42)19-34(35,36)37;1-6-31-14-16-32(17-15-31)21(5)28-20(4)25(29(34)35-19(2)3)18-27-24(11-13-33(27)28)22-10-12-30-26-9-7-8-23(22)26;1-16-21(25(34)35)14-23-20(18-6-8-30-22-5-3-4-19(18)22)7-9-33(23)24(16)17(2)32-12-10-31(11-13-32)15-26(27,28)29;1-5-3-7(12-2)6(4-9)8(11)10-5;/h8-11,16-17,22H,5-7,12-15,18-19H2,1-4H3,(H,39,44)(H,40,45);10-13,18-19,21H,6-9,14-17H2,1-5H3;6-9,14,17H,3-5,10-13,15H2,1-2H3,(H,34,35);3H,4,9H2,1-2H3,(H,10,11);1H
• InChIKey: RFEGJUMLLKTHNK-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 274.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1802.56
LogP ≤ 5	15.35
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;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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc5c4CCC5)ccn23)CC1.COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ccnc4c3CCC4)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.Cc1c(C(=O)O)cc2c(-c3ccnc4c3CCC4)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cl.

What is the InChIKey of 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?

The InChIKey is RFEGJUMLLKTHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39F3N6O3.C29H38N4O2.C26H29F3N4O2.C8H12N2O2.ClH/c1-20-16-30(46-4)27(33(45)40-20)18-39-32(44)26-17-29-25(23-8-10-38-28-7-5-6-24(23)28)9-11-43(29)31(21(26)2)22(3)42-14-12-41(13-15-42)19-34(35,36)37;1-6-31-14-16-32(17-15-31)21(5)28-20(4)25(29(34)35-19(2)3)18-27-24(11-13-33(27)28)22-10-12-30-26-9-7-8-23(22)26;1-16-21(25(34)35)14-23-20(18-6-8-30-22-5-3-4-19(18)22)7-9-33(23)24(16)17(2)32-12-10-31(11-13-32)15-26(27,28)29;1-5-3-7(12-2)6(4-9)8(11)10-5;/h8-11,16-17,22H,5-7,12-15,18-19H2,1-4H3,(H,39,44)(H,40,45);10-13,18-19,21H,6-9,14-17H2,1-5H3;6-9,14,17H,3-5,10-13,15H2,1-2H3,(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;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?

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 has a molecular weight of 1802.56 g/mol, XLogP of 15.35, 21 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;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 is sourced from PubChem (CID 158910214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).