imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone

C14H14F3N3O — CID 122152246

IUPACimidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone
SMILESCC1(CC(F)(F)F)CN(C(=O)c2ccc3nccn3c2)C1
InChIInChI=1S/C14H14F3N3O/c1-13(7-14(15,16)17)8-20(9-13)12(21)10-2-3-11-18-4-5-19(11)6-10/h2-6H,7-9H2,1H3
InChIKeyBDOKMTSAQAKBJV-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.75
Rot. Bonds2

About imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone

imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone (PubChem CID 122152246) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone
PubChem CID122152246
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Nameimidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone
SMILESCC1(CC(F)(F)F)CN(C(=O)c2ccc3nccn3c2)C1
InChIInChI=1S/C14H14F3N3O/c1-13(7-14(15,16)17)8-20(9-13)12(21)10-2-3-11-18-4-5-19(11)6-10/h2-6H,7-9H2,1H3
InChIKeyBDOKMTSAQAKBJV-UHFFFAOYSA-N
XLogP2.75
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone (CID 122152246) is imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone is CC1(CC(F)(F)F)CN(C(=O)c2ccc3nccn3c2)C1.
What is the InChIKey of imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone?
The InChIKey is BDOKMTSAQAKBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-13(7-14(15,16)17)8-20(9-13)12(21)10-2-3-11-18-4-5-19(11)6-10/h2-6H,7-9H2,1H3.
What are the key properties of imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone?
imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone has a molecular weight of 297.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 122152246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).