1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one

C22H18N4O2 — CID 11675099

IUPAC1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one
SMILESCC(=O)COc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C22H18N4O2/c1-15(27)14-28-18-7-5-16(6-8-18)21-12-17(9-11-24-21)19-13-25-26-22(19)20-4-2-3-10-23-20/h2-13H,14H2,1H3,(H,25,26)
InChIKeyNMDWFWYMBJVIQE-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.17
Rot. Bonds6

About 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one

1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one (PubChem CID 11675099) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one.

Molecular Properties

Compound Name1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one
PubChem CID11675099
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one
SMILESCC(=O)COc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C22H18N4O2/c1-15(27)14-28-18-7-5-16(6-8-18)21-12-17(9-11-24-21)19-13-25-26-22(19)20-4-2-3-10-23-20/h2-13H,14H2,1H3,(H,25,26)
InChIKeyNMDWFWYMBJVIQE-UHFFFAOYSA-N
XLogP4.17
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one?
The IUPAC name of 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one (CID 11675099) is 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one.
What is the SMILES notation for 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one?
The canonical SMILES for 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one is CC(=O)COc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.
What is the InChIKey of 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one?
The InChIKey is NMDWFWYMBJVIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15(27)14-28-18-7-5-16(6-8-18)21-12-17(9-11-24-21)19-13-25-26-22(19)20-4-2-3-10-23-20/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one?
1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one has a molecular weight of 370.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]propan-2-one is sourced from PubChem (CID 11675099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).