3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine

C23H19N3O3 — CID 18760033

IUPAC3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine
SMILESCOc1ccc(-c2cc(Oc3ccncc3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-27-18-7-3-16(4-8-18)21-15-22(29-20-11-13-24-14-12-20)25-26-23(21)17-5-9-19(28-2)10-6-17/h3-15H,1-2H3
InChIKeyTWAHKARQWDVLCI-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.02
Rot. Bonds6

About 3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine

3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine (PubChem CID 18760033) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine
PubChem CID18760033
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine
SMILESCOc1ccc(-c2cc(Oc3ccncc3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H19N3O3/c1-27-18-7-3-16(4-8-18)21-15-22(29-20-11-13-24-14-12-20)25-26-23(21)17-5-9-19(28-2)10-6-17/h3-15H,1-2H3
InChIKeyTWAHKARQWDVLCI-UHFFFAOYSA-N
XLogP5.02
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine (CID 18760033) is 3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine is COc1ccc(-c2cc(Oc3ccncc3)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine?
The InChIKey is TWAHKARQWDVLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-27-18-7-3-16(4-8-18)21-15-22(29-20-11-13-24-14-12-20)25-26-23(21)17-5-9-19(28-2)10-6-17/h3-15H,1-2H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine?
3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine has a molecular weight of 385.42 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-6-pyridin-4-yloxypyridazine is sourced from PubChem (CID 18760033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).