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

C19H15F2N5O2 — CID 70798615

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)C5)n4c3)ccc2o1
InChIInChI=1S/C19H15F2N5O2/c20-19(21)5-6-25(10-19)17(27)14-8-23-16-4-2-12(9-26(14)16)11-1-3-15-13(7-11)24-18(22)28-15/h1-4,7-9H,5-6,10H2,(H2,22,24)
InChIKeyJESLYQOGRZYKIG-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.21
Rot. Bonds2

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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 70798615) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID70798615
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESNc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)C5)n4c3)ccc2o1
InChIInChI=1S/C19H15F2N5O2/c20-19(21)5-6-25(10-19)17(27)14-8-23-16-4-2-12(9-26(14)16)11-1-3-15-13(7-11)24-18(22)28-15/h1-4,7-9H,5-6,10H2,(H2,22,24)
InChIKeyJESLYQOGRZYKIG-UHFFFAOYSA-N
XLogP3.21
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.21
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-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone (CID 70798615) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(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-difluoropyrrolidin-1-yl)methanone?
The InChIKey is JESLYQOGRZYKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c20-19(21)5-6-25(10-19)17(27)14-8-23-16-4-2-12(9-26(14)16)11-1-3-15-13(7-11)24-18(22)28-15/h1-4,7-9H,5-6,10H2,(H2,22,24).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 383.36 g/mol, XLogP of 3.21, 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-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 70798615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).