(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide

C24H23F2N3O3 — CID 55886216

About (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide (PubChem CID 55886216) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
• PubChem CID: 55886216
• Molecular Formula: C24H23F2N3O3
• Molecular Weight: 439.46 g/mol
• Exact Mass: 439.17
• IUPAC Name: (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide
• SMILES: COc1cc(/C=C/C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)ccc1OC(F)F
• InChI: InChI=1S/C24H23F2N3O3/c1-31-21-13-16(8-10-20(21)32-24(25)26)9-11-23(30)27-18-6-4-5-17(14-18)19-15-29-12-3-2-7-22(29)28-19/h4-6,8-11,13-15,24H,2-3,7,12H2,1H3,(H,27,30)/b11-9+
• InChIKey: KFGMSPWOQRYSED-PKNBQFBNSA-N
• XLogP: 5.15
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.46
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?

The IUPAC name of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide (CID 55886216) is (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide.

What is the SMILES notation for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?

The canonical SMILES for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)ccc1OC(F)F.

What is the InChIKey of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?

The InChIKey is KFGMSPWOQRYSED-PKNBQFBNSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-31-21-13-16(8-10-20(21)32-24(25)26)9-11-23(30)27-18-6-4-5-17(14-18)19-15-29-12-3-2-7-22(29)28-19/h4-6,8-11,13-15,24H,2-3,7,12H2,1H3,(H,27,30)/b11-9+.

What are the key properties of (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide?

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide has a molecular weight of 439.46 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 55886216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).