2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

C19H16N6O3 — CID 46983709

IUPAC2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCn1ncc(NC(=O)Cn2nc(-c3ccc4c(c3)OCO4)c3ccccc32)n1
InChIInChI=1S/C19H16N6O3/c1-24-20-9-17(22-24)21-18(26)10-25-14-5-3-2-4-13(14)19(23-25)12-6-7-15-16(8-12)28-11-27-15/h2-9H,10-11H2,1H3,(H,21,22,26)
InChIKeyZBBXBYFXZPSEJA-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.20
Rot. Bonds4

About 2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (PubChem CID 46983709) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
PubChem CID46983709
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCn1ncc(NC(=O)Cn2nc(-c3ccc4c(c3)OCO4)c3ccccc32)n1
InChIInChI=1S/C19H16N6O3/c1-24-20-9-17(22-24)21-18(26)10-25-14-5-3-2-4-13(14)19(23-25)12-6-7-15-16(8-12)28-11-27-15/h2-9H,10-11H2,1H3,(H,21,22,26)
InChIKeyZBBXBYFXZPSEJA-UHFFFAOYSA-N
XLogP2.20
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-methylindazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)indazol-1-yl]acetamide
CID 46983985
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877316
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(3-pyrimidin-5-ylindazol-1-yl)acetamide
CID 46998627
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
CID 18674028
ethyl N-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522070
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenylindazol-1-yl)propanamide
CID 20877626
N-(1,3-benzodioxol-5-ylmethyl)-2-methyltriazole-4-carboxamide
CID 110691382
8-(1,3-benzodioxol-5-yl)-6-ethylpyrido[2,3-d]pyridazin-5-one
CID 19700773
N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide
CID 20877585
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 121051180
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide
CID 121051226
N-(1,3-benzodioxol-5-ylmethyl)-1-hexylindazole-3-carboxamide
CID 170909402

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (CID 46983709) is 2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is Cn1ncc(NC(=O)Cn2nc(-c3ccc4c(c3)OCO4)c3ccccc32)n1.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The InChIKey is ZBBXBYFXZPSEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-24-20-9-17(22-24)21-18(26)10-25-14-5-3-2-4-13(14)19(23-25)12-6-7-15-16(8-12)28-11-27-15/h2-9H,10-11H2,1H3,(H,21,22,26).
What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide has a molecular weight of 376.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-yl)indazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46983709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).