3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

C23H24BrN3O3 — CID 112832942

About 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 112832942) has the molecular formula C23H24BrN3O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
• PubChem CID: 112832942
• Molecular Formula: C23H24BrN3O3
• Molecular Weight: 470.37 g/mol
• Exact Mass: 469.10
• IUPAC Name: 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
• SMILES: CCOc1c(Br)cc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1OC
• InChI: InChI=1S/C23H24BrN3O3/c1-3-30-21-19(24)12-16(13-20(21)29-2)23(28)26-17-9-7-15(8-10-17)22-25-14-18-6-4-5-11-27(18)22/h7-10,12-14H,3-6,11H2,1-2H3,(H,26,28)
• InChIKey: GPZDGRIYOZZQCU-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.37
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (CID 112832942) is 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.

What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is CCOc1c(Br)cc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1OC.

What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

The InChIKey is GPZDGRIYOZZQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O3/c1-3-30-21-19(24)12-16(13-20(21)29-2)23(28)26-17-9-7-15(8-10-17)22-25-14-18-6-4-5-11-27(18)22/h7-10,12-14H,3-6,11H2,1-2H3,(H,26,28).

What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?

3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide has a molecular weight of 470.37 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 112832942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).