7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one

C20H18N4O4 — CID 126665899

IUPAC7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-c2nn(Cc3ccncc3)c(=O)c3c(C)noc23)c(OC)c1
InChIInChI=1S/C20H18N4O4/c1-12-17-19(28-23-12)18(15-5-4-14(26-2)10-16(15)27-3)22-24(20(17)25)11-13-6-8-21-9-7-13/h4-10H,11H2,1-3H3
InChIKeyFARIVNZRRJTLKR-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.82
Rot. Bonds5

About 7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one

7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 126665899) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID126665899
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-c2nn(Cc3ccncc3)c(=O)c3c(C)noc23)c(OC)c1
InChIInChI=1S/C20H18N4O4/c1-12-17-19(28-23-12)18(15-5-4-14(26-2)10-16(15)27-3)22-24(20(17)25)11-13-6-8-21-9-7-13/h4-10H,11H2,1-3H3
InChIKeyFARIVNZRRJTLKR-UHFFFAOYSA-N
XLogP2.82
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 126665899) is 7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one is COc1ccc(-c2nn(Cc3ccncc3)c(=O)c3c(C)noc23)c(OC)c1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is FARIVNZRRJTLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-12-17-19(28-23-12)18(15-5-4-14(26-2)10-16(15)27-3)22-24(20(17)25)11-13-6-8-21-9-7-13/h4-10H,11H2,1-3H3.
What are the key properties of 7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one?
7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 378.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 126665899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).