(4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene

C22H16FN5O — CID 3777919

IUPAC(4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene
SMILESCOc1ccc(-c2nc(-c3ccncc3)ncc2/N=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FN5O/c1-29-19-8-2-15(3-9-19)21-20(28-27-18-6-4-17(23)5-7-18)14-25-22(26-21)16-10-12-24-13-11-16/h2-14H,1H3/b28-27+
InChIKeyZKKCQHKHRIBXIJ-BYYHNAKLSA-N
MW385.40 g/mol
LogP5.77
Rot. Bonds5

About (4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene

(4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene (PubChem CID 3777919) has the molecular formula C22H16FN5O and a molecular weight of 385.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene
PubChem CID3777919
Molecular FormulaC22H16FN5O
Molecular Weight385.40 g/mol
Exact Mass385.13
IUPAC Name(4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene
SMILESCOc1ccc(-c2nc(-c3ccncc3)ncc2/N=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FN5O/c1-29-19-8-2-15(3-9-19)21-20(28-27-18-6-4-17(23)5-7-18)14-25-22(26-21)16-10-12-24-13-11-16/h2-14H,1H3/b28-27+
InChIKeyZKKCQHKHRIBXIJ-BYYHNAKLSA-N
XLogP5.77
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene?
The IUPAC name of (4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene (CID 3777919) is (4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene.
What is the SMILES notation for (4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene?
The canonical SMILES for (4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene is COc1ccc(-c2nc(-c3ccncc3)ncc2/N=N/c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene?
The InChIKey is ZKKCQHKHRIBXIJ-BYYHNAKLSA-N. The full InChI is InChI=1S/C22H16FN5O/c1-29-19-8-2-15(3-9-19)21-20(28-27-18-6-4-17(23)5-7-18)14-25-22(26-21)16-10-12-24-13-11-16/h2-14H,1H3/b28-27+.
What are the key properties of (4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene?
(4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene has a molecular weight of 385.40 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(4-methoxyphenyl)-2-pyridin-4-ylpyrimidin-5-yl]diazene is sourced from PubChem (CID 3777919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).