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

C28H34N6O3 — CID 138733684

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 138733684) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
• PubChem CID: 138733684
• Molecular Formula: C28H34N6O3
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.27
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cn(C)cn4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
• InChI: InChI=1S/C28H34N6O3/c1-17-10-18(2)31-28(36)24(17)13-29-27(35)23-12-22-11-21(25-15-32(5)16-30-25)14-34(22)26(19(23)3)20(4)33-6-8-37-9-7-33/h10-12,14-16,20H,6-9,13H2,1-5H3,(H,29,35)(H,31,36)
• InChIKey: IZTQCLWFKVZGMB-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 96.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 138733684) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cn(C)cn4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.

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

The InChIKey is IZTQCLWFKVZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3/c1-17-10-18(2)31-28(36)24(17)13-29-27(35)23-12-22-11-21(25-15-32(5)16-30-25)14-34(22)26(19(23)3)20(4)33-6-8-37-9-7-33/h10-12,14-16,20H,6-9,13H2,1-5H3,(H,29,35)(H,31,36).

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 138733684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).