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

C22H20F2N6O2 — CID 70798769

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CC(F)(F)C6)C5)n4c3)ccc2o1
InChIInChI=1S/C22H20F2N6O2/c23-22(24)11-29(12-22)15-5-6-28(10-15)20(31)17-8-26-19-4-2-14(9-30(17)19)13-1-3-18-16(7-13)27-21(25)32-18/h1-4,7-9,15H,5-6,10-12H2,(H2,25,27)
InChIKeyHUYHVGCYPCJQLS-UHFFFAOYSA-N
MW438.44 g/mol
LogP2.89
Rot. Bonds3

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 70798769) has the molecular formula C22H20F2N6O2 and a molecular weight of 438.44 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone
PubChem CID70798769
Molecular FormulaC22H20F2N6O2
Molecular Weight438.44 g/mol
Exact Mass438.16
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CC(F)(F)C6)C5)n4c3)ccc2o1
InChIInChI=1S/C22H20F2N6O2/c23-22(24)11-29(12-22)15-5-6-28(10-15)20(31)17-8-26-19-4-2-14(9-30(17)19)13-1-3-18-16(7-13)27-21(25)32-18/h1-4,7-9,15H,5-6,10-12H2,(H2,25,27)
InChIKeyHUYHVGCYPCJQLS-UHFFFAOYSA-N
XLogP2.89
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone (CID 70798769) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-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-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(N6CC(F)(F)C6)C5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HUYHVGCYPCJQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2/c23-22(24)11-29(12-22)15-5-6-28(10-15)20(31)17-8-26-19-4-2-14(9-30(17)19)13-1-3-18-16(7-13)27-21(25)32-18/h1-4,7-9,15H,5-6,10-12H2,(H2,25,27).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 438.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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-(3,3-difluoroazetidin-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70798769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).