6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one

C21H24N4O2 — CID 126927663

IUPAC6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(C(=O)c3cc4ccccn4c3)C2)n1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)18-7-8-19(26)25(22-18)13-15-11-24(12-15)20(27)16-10-17-6-4-5-9-23(17)14-16/h4-10,14-15H,11-13H2,1-3H3
InChIKeyAFIUGIGHYHYHQI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.57
Rot. Bonds3

About 6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927663) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927663
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(C(=O)c3cc4ccccn4c3)C2)n1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)18-7-8-19(26)25(22-18)13-15-11-24(12-15)20(27)16-10-17-6-4-5-9-23(17)14-16/h4-10,14-15H,11-13H2,1-3H3
InChIKeyAFIUGIGHYHYHQI-UHFFFAOYSA-N
XLogP2.57
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-2-[[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928037
6-tert-butyl-2-[[1-(1H-indole-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927610
2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
CID 126927619
4-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidine-1-carbonyl]-1H-quinolin-2-one
CID 126927665
6-tert-butyl-2-[[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927609
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide
CID 126927651
6-tert-butyl-2-[[1-(2-hydroxycyclohexyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928030
6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862236
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928040

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126927663) is 6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CN(C(=O)c3cc4ccccn4c3)C2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is AFIUGIGHYHYHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)18-7-8-19(26)25(22-18)13-15-11-24(12-15)20(27)16-10-17-6-4-5-9-23(17)14-16/h4-10,14-15H,11-13H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 364.45 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(indolizine-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).