6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one

C19H15BrN4O2 — CID 139924360

IUPAC6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one
SMILESCOc1ccc(Br)cc1-c1nn2ccccc2c1-c1ccc(=O)n(C)n1
InChIInChI=1S/C19H15BrN4O2/c1-23-17(25)9-7-14(21-23)18-15-5-3-4-10-24(15)22-19(18)13-11-12(20)6-8-16(13)26-2/h3-11H,1-2H3
InChIKeyIRZOLLKKTIQTBX-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.53
Rot. Bonds3

About 6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one

6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one (PubChem CID 139924360) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is 6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one
PubChem CID139924360
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC Name6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one
SMILESCOc1ccc(Br)cc1-c1nn2ccccc2c1-c1ccc(=O)n(C)n1
InChIInChI=1S/C19H15BrN4O2/c1-23-17(25)9-7-14(21-23)18-15-5-3-4-10-24(15)22-19(18)13-11-12(20)6-8-16(13)26-2/h3-11H,1-2H3
InChIKeyIRZOLLKKTIQTBX-UHFFFAOYSA-N
XLogP3.53
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one (CID 139924360) is 6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one is COc1ccc(Br)cc1-c1nn2ccccc2c1-c1ccc(=O)n(C)n1.
What is the InChIKey of 6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one?
The InChIKey is IRZOLLKKTIQTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-23-17(25)9-7-14(21-23)18-15-5-3-4-10-24(15)22-19(18)13-11-12(20)6-8-16(13)26-2/h3-11H,1-2H3.
What are the key properties of 6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one?
6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one has a molecular weight of 411.26 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-bromo-2-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 139924360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).