3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid

C54H63ClN10O7S2 — CID 159164321

About 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid

3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid (PubChem CID 159164321) has the molecular formula C54H63ClN10O7S2 and a molecular weight of 1063.75 g/mol. Its IUPAC name is 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid
• PubChem CID: 159164321
• Molecular Formula: C54H63ClN10O7S2
• Molecular Weight: 1063.75 g/mol
• Exact Mass: 1062.40
• IUPAC Name: 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid
• SMILES: Cc1c(C(=O)O)cc2cc(-c3nccs3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nccs4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1
• InChI: InChI=1S/C27H31N5O3S.C19H21N3O3S.C8H11ClN2O/c1-16-11-17(2)30-26(34)23(16)14-29-25(33)22-13-21-12-20(27-28-5-10-36-27)15-32(21)24(18(22)3)19(4)31-6-8-35-9-7-31;1-12-16(19(23)24)10-15-9-14(18-20-3-8-26-18)11-22(15)17(12)13(2)21-4-6-25-7-5-21;1-5-3-6(2)11-8(12)7(5)4-10-9/h5,10-13,15,19H,6-9,14H2,1-4H3,(H,29,33)(H,30,34);3,8-11,13H,4-7H2,1-2H3,(H,23,24);3,10H,4H2,1-2H3,(H,11,12)
• InChIKey: KKWNOPQKOWWTHE-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 203.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.75
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?

The IUPAC name of 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid (CID 159164321) is 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid.

What is the SMILES notation for 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?

The canonical SMILES for 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3nccs3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nccs4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.

What is the InChIKey of 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?

The InChIKey is KKWNOPQKOWWTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3S.C19H21N3O3S.C8H11ClN2O/c1-16-11-17(2)30-26(34)23(16)14-29-25(33)22-13-21-12-20(27-28-5-10-36-27)15-32(21)24(18(22)3)19(4)31-6-8-35-9-7-31;1-12-16(19(23)24)10-15-9-14(18-20-3-8-26-18)11-22(15)17(12)13(2)21-4-6-25-7-5-21;1-5-3-6(2)11-8(12)7(5)4-10-9/h5,10-13,15,19H,6-9,14H2,1-4H3,(H,29,33)(H,30,34);3,8-11,13H,4-7H2,1-2H3,(H,23,24);3,10H,4H2,1-2H3,(H,11,12).

What are the key properties of 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid?

3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid has a molecular weight of 1063.75 g/mol, XLogP of 8.70, 12 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(chloroamino)methyl]-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-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid is sourced from PubChem (CID 159164321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).