1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

C24H23F3N2O2 — CID 58080734

About 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (PubChem CID 58080734) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.

Molecular Properties

• Compound Name: 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
• PubChem CID: 58080734
• Molecular Formula: C24H23F3N2O2
• Molecular Weight: 428.45 g/mol
• Exact Mass: 428.17
• IUPAC Name: 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
• SMILES: O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(C(=O)C4CCCC4)ccn23)c1
• InChI: InChI=1S/C24H23F3N2O2/c25-24(26,27)10-8-20(30)13-16-4-3-7-18(12-16)21-15-28-22-14-19(9-11-29(21)22)23(31)17-5-1-2-6-17/h3-4,7,9,11-12,14-15,17H,1-2,5-6,8,10,13H2
• InChIKey: LTVULIDNGDSYRH-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 51.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.45
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

The IUPAC name of 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (CID 58080734) is 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.

What is the SMILES notation for 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

The canonical SMILES for 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(C(=O)C4CCCC4)ccn23)c1.

What is the InChIKey of 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

The InChIKey is LTVULIDNGDSYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c25-24(26,27)10-8-20(30)13-16-4-3-7-18(12-16)21-15-28-22-14-19(9-11-29(21)22)23(31)17-5-1-2-6-17/h3-4,7,9,11-12,14-15,17H,1-2,5-6,8,10,13H2.

What are the key properties of 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one has a molecular weight of 428.45 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(cyclopentanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 58080734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).