2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one

C17H12N4O2 — CID 134341041

IUPAC2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1nccc(Oc2cccnc2)n1
InChIInChI=1S/C17H12N4O2/c22-16-14-6-2-1-4-12(14)11-21(16)17-19-9-7-15(20-17)23-13-5-3-8-18-10-13/h1-10H,11H2
InChIKeyIZMSEFWFPKBNOV-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.82
Rot. Bonds3

About 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one

2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one (PubChem CID 134341041) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one
PubChem CID134341041
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1c1nccc(Oc2cccnc2)n1
InChIInChI=1S/C17H12N4O2/c22-16-14-6-2-1-4-12(14)11-21(16)17-19-9-7-15(20-17)23-13-5-3-8-18-10-13/h1-10H,11H2
InChIKeyIZMSEFWFPKBNOV-UHFFFAOYSA-N
XLogP2.82
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one (CID 134341041) is 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one is O=C1c2ccccc2CN1c1nccc(Oc2cccnc2)n1.
What is the InChIKey of 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one?
The InChIKey is IZMSEFWFPKBNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-16-14-6-2-1-4-12(14)11-21(16)17-19-9-7-15(20-17)23-13-5-3-8-18-10-13/h1-10H,11H2.
What are the key properties of 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one?
2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one has a molecular weight of 304.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one is sourced from PubChem (CID 134341041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).