6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one

C22H22N6O — CID 126930085

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccnc5ccccc45)C3)n2)n1
InChIInChI=1S/C22H22N6O/c1-15-11-16(2)28(24-15)21-7-8-22(29)27(25-21)14-17-12-26(13-17)20-9-10-23-19-6-4-3-5-18(19)20/h3-11,17H,12-14H2,1-2H3
InChIKeyGZYYJDJNKAKLJC-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.73
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one (PubChem CID 126930085) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
PubChem CID126930085
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccnc5ccccc45)C3)n2)n1
InChIInChI=1S/C22H22N6O/c1-15-11-16(2)28(24-15)21-7-8-22(29)27(25-21)14-17-12-26(13-17)20-9-10-23-19-6-4-3-5-18(19)20/h3-11,17H,12-14H2,1-2H3
InChIKeyGZYYJDJNKAKLJC-UHFFFAOYSA-N
XLogP2.73
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one with MolForge

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930213
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930097
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyridin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930018
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930065
2-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930068
2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930075
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1,3-oxazol-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930111
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930258
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930027
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930053
2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930049
6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916522

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one (CID 126930085) is 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccnc5ccccc45)C3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
The InChIKey is GZYYJDJNKAKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15-11-16(2)28(24-15)21-7-8-22(29)27(25-21)14-17-12-26(13-17)20-9-10-23-19-6-4-3-5-18(19)20/h3-11,17H,12-14H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one has a molecular weight of 386.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126930085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).