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

C31H35FN4O4 — CID 138733466

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-2-ylethyl)indolizine-7-carboxamide (PubChem CID 138733466) has the molecular formula C31H35FN4O4 and a molecular weight of 546.64 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-2-ylethyl)indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-2-ylethyl)indolizine-7-carboxamide
• PubChem CID: 138733466
• Molecular Formula: C31H35FN4O4
• Molecular Weight: 546.64 g/mol
• Exact Mass: 546.26
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-2-ylethyl)indolizine-7-carboxamide
• SMILES: COc1ccc(F)c(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)C4CNCCO4)n3c2)c1
• InChI: InChI=1S/C31H35FN4O4/c1-17-10-18(2)35-31(38)26(17)14-34-30(37)24-12-22-11-21(25-13-23(39-5)6-7-27(25)32)16-36(22)29(19(24)3)20(4)28-15-33-8-9-40-28/h6-7,10-13,16,20,28,33H,8-9,14-15H2,1-5H3,(H,34,37)(H,35,38)
• InChIKey: LEBNWMPKUBWKPZ-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 96.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.64
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-2-ylethyl)indolizine-7-carboxamide (CID 138733466) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-2-ylethyl)indolizine-7-carboxamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-2-ylethyl)indolizine-7-carboxamide is COc1ccc(F)c(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)C4CNCCO4)n3c2)c1.

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

The InChIKey is LEBNWMPKUBWKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN4O4/c1-17-10-18(2)35-31(38)26(17)14-34-30(37)24-12-22-11-21(25-13-23(39-5)6-7-27(25)32)16-36(22)29(19(24)3)20(4)28-15-33-8-9-40-28/h6-7,10-13,16,20,28,33H,8-9,14-15H2,1-5H3,(H,34,37)(H,35,38).

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-2-ylethyl)indolizine-7-carboxamide has a molecular weight of 546.64 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-fluoro-5-methoxyphenyl)-6-methyl-5-(1-morpholin-2-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 138733466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).