5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide

C30H38N6O3S — CID 134340689

About 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide (PubChem CID 134340689) has the molecular formula C30H38N6O3S and a molecular weight of 562.74 g/mol. Its IUPAC name is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide
• PubChem CID: 134340689
• Molecular Formula: C30H38N6O3S
• Molecular Weight: 562.74 g/mol
• Exact Mass: 562.27
• IUPAC Name: 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCC(N(C)C)CC2)c1C
• InChI: InChI=1S/C30H38N6O3S/c1-18-11-26(39-6)25(30(38)33-18)14-32-29(37)24-13-23-12-21(27-15-31-17-40-27)16-36(23)28(19(24)2)20(3)35-9-7-22(8-10-35)34(4)5/h11-13,15-17,20,22H,7-10,14H2,1-6H3,(H,32,37)(H,33,38)
• InChIKey: OCXQPLBPNOXZGJ-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 94.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.74
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide?

The IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide (CID 134340689) is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide.

What is the SMILES notation for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide?

The canonical SMILES for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCC(N(C)C)CC2)c1C.

What is the InChIKey of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide?

The InChIKey is OCXQPLBPNOXZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3S/c1-18-11-26(39-6)25(30(38)33-18)14-32-29(37)24-13-23-12-21(27-15-31-17-40-27)16-36(23)28(19(24)2)20(3)35-9-7-22(8-10-35)34(4)5/h11-13,15-17,20,22H,7-10,14H2,1-6H3,(H,32,37)(H,33,38).

What are the key properties of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide?

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide has a molecular weight of 562.74 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide is sourced from PubChem (CID 134340689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).