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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid — IUPAC name, SMILES, InChIKey & properties

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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (PubChem CID 159458142) has the molecular formula C56H70N12O9 and a molecular weight of 1055.25 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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
PubChem CID	159458142
Molecular Formula	C56H70N12O9
Molecular Weight	1055.25 g/mol
Exact Mass	1054.54
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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
SMILES	COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncn3C)cn2c(C(C)N2CCOCC2)c1C.Cc1c(C(=O)O)cc2cc(-c3cncn3C)cn2c1C(C)N1CCOCC1
InChI	InChI=1S/C28H34N6O4.C20H24N4O3.C8H12N2O2/c1-17-10-25(37-5)23(28(36)31-17)13-30-27(35)22-12-21-11-20(24-14-29-16-32(24)4)15-34(21)26(18(22)2)19(3)33-6-8-38-9-7-33;1-13-17(20(25)26)9-16-8-15(18-10-21-12-22(18)3)11-24(16)19(13)14(2)23-4-6-27-7-5-23;1-5-3-7(12-2)6(4-9)8(11)10-5/h10-12,14-16,19H,6-9,13H2,1-5H3,(H,30,35)(H,31,36);8-12,14H,4-7H2,1-3H3,(H,25,26);3H,4,9H2,1-2H3,(H,10,11)
InChIKey	LUFYJPHDOOGYIN-UHFFFAOYSA-N
XLogP	5.87
TPSA	246.00 Å²
H-Bond Donors	5
H-Bond Acceptors	17
Rotatable Bonds	13
Heavy Atoms	77
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.25
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Related Compounds

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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (CID 159458142) 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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncn3C)cn2c(C(C)N2CCOCC2)c1C.Cc1c(C(=O)O)cc2cc(-c3cncn3C)cn2c1C(C)N1CCOCC1.

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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

The InChIKey is LUFYJPHDOOGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4.C20H24N4O3.C8H12N2O2/c1-17-10-25(37-5)23(28(36)31-17)13-30-27(35)22-12-21-11-20(24-14-29-16-32(24)4)15-34(21)26(18(22)2)19(3)33-6-8-38-9-7-33;1-13-17(20(25)26)9-16-8-15(18-10-21-12-22(18)3)11-24(16)19(13)14(2)23-4-6-27-7-5-23;1-5-3-7(12-2)6(4-9)8(11)10-5/h10-12,14-16,19H,6-9,13H2,1-5H3,(H,30,35)(H,31,36);8-12,14H,4-7H2,1-3H3,(H,25,26);3H,4,9H2,1-2H3,(H,10,11).

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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

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-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 159458142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).