2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one

C21H23N3O3 — CID 126927619

IUPAC2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(C(=O)c3cc4ccccc4o3)C2)n1
InChIInChI=1S/C21H23N3O3/c1-21(2,3)18-8-9-19(25)24(22-18)13-14-11-23(12-14)20(26)17-10-15-6-4-5-7-16(15)27-17/h4-10,14H,11-13H2,1-3H3
InChIKeyWUQWVUBNCVKLTG-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.06
Rot. Bonds3

About 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one

2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one (PubChem CID 126927619) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
PubChem CID126927619
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(C(=O)c3cc4ccccc4o3)C2)n1
InChIInChI=1S/C21H23N3O3/c1-21(2,3)18-8-9-19(25)24(22-18)13-14-11-23(12-14)20(26)17-10-15-6-4-5-7-16(15)27-17/h4-10,14H,11-13H2,1-3H3
InChIKeyWUQWVUBNCVKLTG-UHFFFAOYSA-N
XLogP3.06
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one with MolForge

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Related Compounds

6-tert-butyl-2-[[1-(1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927610
2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865130
6-tert-butyl-2-[[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928037
6-tert-butyl-2-[[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927609
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one
CID 126927665
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631
3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide
CID 126927651
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one?
The IUPAC name of 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one (CID 126927619) is 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one?
The canonical SMILES for 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CN(C(=O)c3cc4ccccc4o3)C2)n1.
What is the InChIKey of 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one?
The InChIKey is WUQWVUBNCVKLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-21(2,3)18-8-9-19(25)24(22-18)13-14-11-23(12-14)20(26)17-10-15-6-4-5-7-16(15)27-17/h4-10,14H,11-13H2,1-3H3.
What are the key properties of 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one?
2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one has a molecular weight of 365.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one is sourced from PubChem (CID 126927619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).