(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone

C20H21N3O5S — CID 90593436

IUPAC(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc4c(OC)n(C)nc4c3)C2)cc1
InChIInChI=1S/C20H21N3O5S/c1-22-20(28-3)17-9-4-13(10-18(17)21-22)19(24)23-11-16(12-23)29(25,26)15-7-5-14(27-2)6-8-15/h4-10,16H,11-12H2,1-3H3
InChIKeyANFXKJZLAVYIJL-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.89
Rot. Bonds5

About (3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone

(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone (PubChem CID 90593436) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is (3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
PubChem CID90593436
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc4c(OC)n(C)nc4c3)C2)cc1
InChIInChI=1S/C20H21N3O5S/c1-22-20(28-3)17-9-4-13(10-18(17)21-22)19(24)23-11-16(12-23)29(25,26)15-7-5-14(27-2)6-8-15/h4-10,16H,11-12H2,1-3H3
InChIKeyANFXKJZLAVYIJL-UHFFFAOYSA-N
XLogP1.89
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 72719017
[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90593367
(3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 126857917
3-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]benzonitrile
CID 90593298
[4-(3-methoxyphenyl)phenyl]-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 72718885
acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593374
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593569
(6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 90593027
(2-bromo-5-methoxyphenyl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593364
2-[[1-(3-methoxy-2-methylindazole-6-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929639
4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540785
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of (3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone (CID 90593436) is (3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for (3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone is COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc4c(OC)n(C)nc4c3)C2)cc1.
What is the InChIKey of (3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone?
The InChIKey is ANFXKJZLAVYIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-22-20(28-3)17-9-4-13(10-18(17)21-22)19(24)23-11-16(12-23)29(25,26)15-7-5-14(27-2)6-8-15/h4-10,16H,11-12H2,1-3H3.
What are the key properties of (3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone?
(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone has a molecular weight of 415.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 90593436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).