(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone

C17H23N3O4S — CID 72719017

IUPAC(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
SMILESCOc1c2ccc(C(=O)N3CC(S(=O)(=O)CC(C)C)C3)cc2nn1C
InChIInChI=1S/C17H23N3O4S/c1-11(2)10-25(22,23)13-8-20(9-13)16(21)12-5-6-14-15(7-12)18-19(3)17(14)24-4/h5-7,11,13H,8-10H2,1-4H3
InChIKeyFPUPTVKWOLCNBQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.48
Rot. Bonds5

About (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone

(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone (PubChem CID 72719017) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
PubChem CID72719017
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
SMILESCOc1c2ccc(C(=O)N3CC(S(=O)(=O)CC(C)C)C3)cc2nn1C
InChIInChI=1S/C17H23N3O4S/c1-11(2)10-25(22,23)13-8-20(9-13)16(21)12-5-6-14-15(7-12)18-19(3)17(14)24-4/h5-7,11,13H,8-10H2,1-4H3
InChIKeyFPUPTVKWOLCNBQ-UHFFFAOYSA-N
XLogP1.48
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593436
(3,4-dimethoxyphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594125
(3-methoxyphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594100
(3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 126857917
2-[[1-(3-methoxy-2-methylindazole-6-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929639
(4-tert-butylphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594279
(4-benzhydrylpiperazin-1-yl)-(3-methoxy-2-methylindazol-6-yl)methanone
CID 90609112
(2-ethyl-1,3-benzothiazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594199
N,N-diethyl-4-[3-(2-methylpropylsulfonyl)azetidine-1-carbonyl]benzenesulfonamide
CID 90594284
5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540539
4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540785
3-[3-(2-methylpropylsulfonyl)azetidine-1-carbonyl]benzonitrile
CID 90594095

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
The IUPAC name of (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone (CID 72719017) is (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone is COc1c2ccc(C(=O)N3CC(S(=O)(=O)CC(C)C)C3)cc2nn1C.
What is the InChIKey of (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
The InChIKey is FPUPTVKWOLCNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-11(2)10-25(22,23)13-8-20(9-13)16(21)12-5-6-14-15(7-12)18-19(3)17(14)24-4/h5-7,11,13H,8-10H2,1-4H3.
What are the key properties of (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone has a molecular weight of 365.46 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone is sourced from PubChem (CID 72719017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).