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

C23H21F3N2O2 — CID 58080747

IUPAC1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(C(=O)C4CCC4)ccn23)c1
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)9-7-19(29)12-15-3-1-6-17(11-15)20-14-27-21-13-18(8-10-28(20)21)22(30)16-4-2-5-16/h1,3,6,8,10-11,13-14,16H,2,4-5,7,9,12H2
InChIKeyOXJKRWCIUNJUFE-UHFFFAOYSA-N
MW414.43 g/mol
LogP5.44
Rot. Bonds7

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

1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (PubChem CID 58080747) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
PubChem CID58080747
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(C(=O)C4CCC4)ccn23)c1
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)9-7-19(29)12-15-3-1-6-17(11-15)20-14-27-21-13-18(8-10-28(20)21)22(30)16-4-2-5-16/h1,3,6,8,10-11,13-14,16H,2,4-5,7,9,12H2
InChIKeyOXJKRWCIUNJUFE-UHFFFAOYSA-N
XLogP5.44
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (CID 58080747) is 1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-[3-[7-(cyclobutanecarbonyl)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)C4CCC4)ccn23)c1.
What is the InChIKey of 1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
The InChIKey is OXJKRWCIUNJUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c24-23(25,26)9-7-19(29)12-15-3-1-6-17(11-15)20-14-27-21-13-18(8-10-28(20)21)22(30)16-4-2-5-16/h1,3,6,8,10-11,13-14,16H,2,4-5,7,9,12H2.
What are the key properties of 1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?
1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one has a molecular weight of 414.43 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 58080747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).