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

C18H13F2N5O2 — CID 70798616

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CC(F)(F)C5)n4c3)ccc2o1
InChIInChI=1S/C18H13F2N5O2/c19-18(20)8-24(9-18)16(26)13-6-22-15-4-2-11(7-25(13)15)10-1-3-14-12(5-10)23-17(21)27-14/h1-7H,8-9H2,(H2,21,23)
InChIKeyRLZAESQMUWMNGW-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.82
Rot. Bonds2

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 70798616) has the molecular formula C18H13F2N5O2 and a molecular weight of 369.33 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID70798616
Molecular FormulaC18H13F2N5O2
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CC(F)(F)C5)n4c3)ccc2o1
InChIInChI=1S/C18H13F2N5O2/c19-18(20)8-24(9-18)16(26)13-6-22-15-4-2-11(7-25(13)15)10-1-3-14-12(5-10)23-17(21)27-14/h1-7H,8-9H2,(H2,21,23)
InChIKeyRLZAESQMUWMNGW-UHFFFAOYSA-N
XLogP2.82
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone (CID 70798616) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CC(F)(F)C5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is RLZAESQMUWMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2/c19-18(20)8-24(9-18)16(26)13-6-22-15-4-2-11(7-25(13)15)10-1-3-14-12(5-10)23-17(21)27-14/h1-7H,8-9H2,(H2,21,23).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 369.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 70798616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).