6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one

C17H12FN3O2 — CID 146275268

IUPAC6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one
SMILESCOc1cc(-c2cnc3cc(F)ccn23)cc2cc[nH]c(=O)c12
InChIInChI=1S/C17H12FN3O2/c1-23-14-7-11(6-10-2-4-19-17(22)16(10)14)13-9-20-15-8-12(18)3-5-21(13)15/h2-9H,1H3,(H,19,22)
InChIKeySXPAMKCKFJEXDM-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.99
Rot. Bonds2

About 6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one

6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one (PubChem CID 146275268) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one
PubChem CID146275268
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one
SMILESCOc1cc(-c2cnc3cc(F)ccn23)cc2cc[nH]c(=O)c12
InChIInChI=1S/C17H12FN3O2/c1-23-14-7-11(6-10-2-4-19-17(22)16(10)14)13-9-20-15-8-12(18)3-5-21(13)15/h2-9H,1H3,(H,19,22)
InChIKeySXPAMKCKFJEXDM-UHFFFAOYSA-N
XLogP2.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one?
The IUPAC name of 6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one (CID 146275268) is 6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one?
The canonical SMILES for 6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one is COc1cc(-c2cnc3cc(F)ccn23)cc2cc[nH]c(=O)c12.
What is the InChIKey of 6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one?
The InChIKey is SXPAMKCKFJEXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-23-14-7-11(6-10-2-4-19-17(22)16(10)14)13-9-20-15-8-12(18)3-5-21(13)15/h2-9H,1H3,(H,19,22).
What are the key properties of 6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one?
6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one has a molecular weight of 309.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one is sourced from PubChem (CID 146275268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).