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

C27H31N5O3S — CID 156907541

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide (PubChem CID 156907541) has the molecular formula C27H31N5O3S and a molecular weight of 505.64 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide
• PubChem CID: 156907541
• Molecular Formula: C27H31N5O3S
• Molecular Weight: 505.64 g/mol
• Exact Mass: 505.21
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCOCC2)c1C
• InChI: InChI=1S/C27H31N5O3S/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/h9-11,13-15,19,23H,5-8,12H2,1-4H3,(H,29,33)
• InChIKey: VKBRETQRYBTUPT-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 88.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.64
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide (CID 156907541) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCOCC2)c1C.

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

The InChIKey is VKBRETQRYBTUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3S/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/h9-11,13-15,19,23H,5-8,12H2,1-4H3,(H,29,33).

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide has a molecular weight of 505.64 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide is sourced from PubChem (CID 156907541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).