5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one

C24H21N3O3 — CID 18369305

IUPAC5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(Cc3ccncc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-29-20-7-3-18(4-8-20)22-15-23(28)27(16-17-11-13-25-14-12-17)26-24(22)19-5-9-21(30-2)10-6-19/h3-15H,16H2,1-2H3
InChIKeyUEAPARQQNQEZFO-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.04
Rot. Bonds6

About 5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one

5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one (PubChem CID 18369305) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one
PubChem CID18369305
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(Cc3ccncc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-29-20-7-3-18(4-8-20)22-15-23(28)27(16-17-11-13-25-14-12-17)26-24(22)19-5-9-21(30-2)10-6-19/h3-15H,16H2,1-2H3
InChIKeyUEAPARQQNQEZFO-UHFFFAOYSA-N
XLogP4.04
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one (CID 18369305) is 5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one is COc1ccc(-c2cc(=O)n(Cc3ccncc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
The InChIKey is UEAPARQQNQEZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-20-7-3-18(4-8-20)22-15-23(28)27(16-17-11-13-25-14-12-17)26-24(22)19-5-9-21(30-2)10-6-19/h3-15H,16H2,1-2H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one?
5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one has a molecular weight of 399.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 18369305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).