3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid

C54H64N10O7S2 — CID 160859186

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid (PubChem CID 160859186) has the molecular formula C54H64N10O7S2 and a molecular weight of 1029.30 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid
• PubChem CID: 160859186
• Molecular Formula: C54H64N10O7S2
• Molecular Weight: 1029.30 g/mol
• Exact Mass: 1028.44
• IUPAC Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid
• SMILES: Cc1c(C(=O)O)cc2cc(-c3cncs3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cncs4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
• InChI: InChI=1S/C27H31N5O3S.C19H21N3O3S.C8H12N2O/c1-16-9-17(2)30-27(34)23(16)12-29-26(33)22-11-21-10-20(24-13-28-15-36-24)14-32(21)25(18(22)3)19(4)31-5-7-35-8-6-31;1-12-16(19(23)24)8-15-7-14(17-9-20-11-26-17)10-22(15)18(12)13(2)21-3-5-25-6-4-21;1-5-3-6(2)10-8(11)7(5)4-9/h9-11,13-15,19H,5-8,12H2,1-4H3,(H,29,33)(H,30,34);7-11,13H,3-6H2,1-2H3,(H,23,24);3H,4,9H2,1-2H3,(H,10,11)
• InChIKey: SKGJVXNIKKZOJP-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 217.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.30
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid?

The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid (CID 160859186) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid.

What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid?

The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3cncs3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cncs4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.

What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid?

The InChIKey is SKGJVXNIKKZOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3S.C19H21N3O3S.C8H12N2O/c1-16-9-17(2)30-27(34)23(16)12-29-26(33)22-11-21-10-20(24-13-28-15-36-24)14-32(21)25(18(22)3)19(4)31-5-7-35-8-6-31;1-12-16(19(23)24)8-15-7-14(17-9-20-11-26-17)10-22(15)18(12)13(2)21-3-5-25-6-4-21;1-5-3-6(2)10-8(11)7(5)4-9/h9-11,13-15,19H,5-8,12H2,1-4H3,(H,29,33)(H,30,34);7-11,13H,3-6H2,1-2H3,(H,23,24);3H,4,9H2,1-2H3,(H,10,11).

What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid?

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid has a molecular weight of 1029.30 g/mol, XLogP of 7.91, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid is sourced from PubChem (CID 160859186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).