(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

C19H14F2N4O2 — CID 118241121

IUPAC(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CC(F)(F)C5)n4c3)ccc2o1
InChIInChI=1S/C19H14F2N4O2/c1-11-23-14-6-12(2-4-16(14)27-11)13-3-5-17-22-7-15(25(17)8-13)18(26)24-9-19(20,21)10-24/h2-8H,9-10H2,1H3
InChIKeyCQRNUXOQYGEMRF-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.54
Rot. Bonds2

About (3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118241121) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID118241121
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CC(F)(F)C5)n4c3)ccc2o1
InChIInChI=1S/C19H14F2N4O2/c1-11-23-14-6-12(2-4-16(14)27-11)13-3-5-17-22-7-15(25(17)8-13)18(26)24-9-19(20,21)10-24/h2-8H,9-10H2,1H3
InChIKeyCQRNUXOQYGEMRF-UHFFFAOYSA-N
XLogP3.54
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118241121) is (3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC(F)(F)C5)n4c3)ccc2o1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is CQRNUXOQYGEMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c1-11-23-14-6-12(2-4-16(14)27-11)13-3-5-17-22-7-15(25(17)8-13)18(26)24-9-19(20,21)10-24/h2-8H,9-10H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 368.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118241121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).