(6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone

C17H20N2O4 — CID 170857810

IUPAC(6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone
SMILESCc1ccc2c(C(=O)C3OC(C)C4OC(C)(C)OC34)n[nH]c2c1
InChIInChI=1S/C17H20N2O4/c1-8-5-6-10-11(7-8)18-19-12(10)13(20)15-16-14(9(2)21-15)22-17(3,4)23-16/h5-7,9,14-16H,1-4H3,(H,18,19)
InChIKeyOFDUFMWICRXGDY-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.36
Rot. Bonds2

About (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone

(6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone (PubChem CID 170857810) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone.

Molecular Properties

Compound Name(6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone
PubChem CID170857810
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone
SMILESCc1ccc2c(C(=O)C3OC(C)C4OC(C)(C)OC34)n[nH]c2c1
InChIInChI=1S/C17H20N2O4/c1-8-5-6-10-11(7-8)18-19-12(10)13(20)15-16-14(9(2)21-15)22-17(3,4)23-16/h5-7,9,14-16H,1-4H3,(H,18,19)
InChIKeyOFDUFMWICRXGDY-UHFFFAOYSA-N
XLogP2.36
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone with MolForge

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Related Compounds

6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide
CID 129128045
N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide
CID 129127830
[(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone
CID 118576776
ethane;6-methyl-1H-indazol-3-amine
CID 143489720
[5-(6-methyl-1H-indazol-3-yl)furan-2-yl]methanol
CID 11345202
(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24823778
6-fluoro-1H-indazole-3-carbonyl chloride
CID 53404488
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-5-methyl-1H-indazole-3-carboxamide
CID 78868789
7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid
CID 156651039
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
methyl 6-(dimethylamino)-1H-indazole-3-carboxylate
CID 174716841

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone?
The IUPAC name of (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone (CID 170857810) is (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone.
What is the SMILES notation for (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone?
The canonical SMILES for (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone is Cc1ccc2c(C(=O)C3OC(C)C4OC(C)(C)OC34)n[nH]c2c1.
What is the InChIKey of (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone?
The InChIKey is OFDUFMWICRXGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-8-5-6-10-11(7-8)18-19-12(10)13(20)15-16-14(9(2)21-15)22-17(3,4)23-16/h5-7,9,14-16H,1-4H3,(H,18,19).
What are the key properties of (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone?
(6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-indazol-3-yl)-(2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanone is sourced from PubChem (CID 170857810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).