[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

C20H17F2N5O2 — CID 50991340

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)CC5)n4c3)ccc2o1
InChIInChI=1S/C20H17F2N5O2/c21-20(22)5-7-26(8-6-20)18(28)15-10-24-17-4-2-13(11-27(15)17)12-1-3-16-14(9-12)25-19(23)29-16/h1-4,9-11H,5-8H2,(H2,23,25)
InChIKeyOHQZBXXXNDAAFU-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.60
Rot. Bonds2

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 50991340) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID50991340
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)CC5)n4c3)ccc2o1
InChIInChI=1S/C20H17F2N5O2/c21-20(22)5-7-26(8-6-20)18(28)15-10-24-17-4-2-13(11-27(15)17)12-1-3-16-14(9-12)25-19(23)29-16/h1-4,9-11H,5-8H2,(H2,23,25)
InChIKeyOHQZBXXXNDAAFU-UHFFFAOYSA-N
XLogP3.60
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.60
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]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 50991340) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)CC5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is OHQZBXXXNDAAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c21-20(22)5-7-26(8-6-20)18(28)15-10-24-17-4-2-13(11-27(15)17)12-1-3-16-14(9-12)25-19(23)29-16/h1-4,9-11H,5-8H2,(H2,23,25).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 397.39 g/mol, XLogP of 3.60, 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]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 50991340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).