6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one

C24H18N6O2 — CID 141268428

IUPAC6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
SMILESO=c1ccc(Oc2ccccc2)nn1Cc1cccc(-c2ncc(-c3cn[nH]c3)cn2)c1
InChIInChI=1S/C24H18N6O2/c31-23-10-9-22(32-21-7-2-1-3-8-21)29-30(23)16-17-5-4-6-18(11-17)24-25-12-19(13-26-24)20-14-27-28-15-20/h1-15H,16H2,(H,27,28)
InChIKeyZBOWKEYNZPXKMW-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.93
Rot. Bonds6

About 6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one

6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one (PubChem CID 141268428) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
PubChem CID141268428
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC Name6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
SMILESO=c1ccc(Oc2ccccc2)nn1Cc1cccc(-c2ncc(-c3cn[nH]c3)cn2)c1
InChIInChI=1S/C24H18N6O2/c31-23-10-9-22(32-21-7-2-1-3-8-21)29-30(23)16-17-5-4-6-18(11-17)24-25-12-19(13-26-24)20-14-27-28-15-20/h1-15H,16H2,(H,27,28)
InChIKeyZBOWKEYNZPXKMW-UHFFFAOYSA-N
XLogP3.93
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one (CID 141268428) is 6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one is O=c1ccc(Oc2ccccc2)nn1Cc1cccc(-c2ncc(-c3cn[nH]c3)cn2)c1.
What is the InChIKey of 6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
The InChIKey is ZBOWKEYNZPXKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c31-23-10-9-22(32-21-7-2-1-3-8-21)29-30(23)16-17-5-4-6-18(11-17)24-25-12-19(13-26-24)20-14-27-28-15-20/h1-15H,16H2,(H,27,28).
What are the key properties of 6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one has a molecular weight of 422.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 141268428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).