5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one

C19H15FN4O4 — CID 165406387

IUPAC5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one
SMILESCOc1cc(COc2ccc3c(c2)CN(c2ccc(=O)[nH]n2)C3=O)ncc1F
InChIInChI=1S/C19H15FN4O4/c1-27-16-7-12(21-8-15(16)20)10-28-13-2-3-14-11(6-13)9-24(19(14)26)17-4-5-18(25)23-22-17/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyCZOKGHVPHDQJQZ-UHFFFAOYSA-N
MW382.35 g/mol
LogP2.05
Rot. Bonds5

About 5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one

5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one (PubChem CID 165406387) has the molecular formula C19H15FN4O4 and a molecular weight of 382.35 g/mol. Its IUPAC name is 5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one
PubChem CID165406387
Molecular FormulaC19H15FN4O4
Molecular Weight382.35 g/mol
Exact Mass382.11
IUPAC Name5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one
SMILESCOc1cc(COc2ccc3c(c2)CN(c2ccc(=O)[nH]n2)C3=O)ncc1F
InChIInChI=1S/C19H15FN4O4/c1-27-16-7-12(21-8-15(16)20)10-28-13-2-3-14-11(6-13)9-24(19(14)26)17-4-5-18(25)23-22-17/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyCZOKGHVPHDQJQZ-UHFFFAOYSA-N
XLogP2.05
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one (CID 165406387) is 5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one is COc1cc(COc2ccc3c(c2)CN(c2ccc(=O)[nH]n2)C3=O)ncc1F.
What is the InChIKey of 5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one?
The InChIKey is CZOKGHVPHDQJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4/c1-27-16-7-12(21-8-15(16)20)10-28-13-2-3-14-11(6-13)9-24(19(14)26)17-4-5-18(25)23-22-17/h2-8H,9-10H2,1H3,(H,23,25).
What are the key properties of 5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one?
5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one has a molecular weight of 382.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 165406387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).