2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one

C20H23N7O — CID 126930075

IUPAC2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccc(C5CC5)nn4)C3)n2)n1
InChIInChI=1S/C20H23N7O/c1-13-9-14(2)27(23-13)19-7-8-20(28)26(24-19)12-15-10-25(11-15)18-6-5-17(21-22-18)16-3-4-16/h5-9,15-16H,3-4,10-12H2,1-2H3
InChIKeyYOBZEWKYXQSKQH-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.85
Rot. Bonds5

About 2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one

2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one (PubChem CID 126930075) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
PubChem CID126930075
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccc(C5CC5)nn4)C3)n2)n1
InChIInChI=1S/C20H23N7O/c1-13-9-14(2)27(23-13)19-7-8-20(28)26(24-19)12-15-10-25(11-15)18-6-5-17(21-22-18)16-3-4-16/h5-9,15-16H,3-4,10-12H2,1-2H3
InChIKeyYOBZEWKYXQSKQH-UHFFFAOYSA-N
XLogP1.85
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-cyclopropyl-2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927367
2-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930068
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-pyridin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930018
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930213
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-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930097
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-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930085
2-[[1-(3,5-dimethylbenzoyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 134161447
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930177
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1,3-oxazol-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930111

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The IUPAC name of 2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one (CID 126930075) is 2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ccc(C5CC5)nn4)C3)n2)n1.
What is the InChIKey of 2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The InChIKey is YOBZEWKYXQSKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-13-9-14(2)27(23-13)19-7-8-20(28)26(24-19)12-15-10-25(11-15)18-6-5-17(21-22-18)16-3-4-16/h5-9,15-16H,3-4,10-12H2,1-2H3.
What are the key properties of 2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one has a molecular weight of 377.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one is sourced from PubChem (CID 126930075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).