2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide

C22H19N5O5S — CID 177233074

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2ccc(NS(=O)(=O)c3cccnc3)cc12
InChIInChI=1S/C22H19N5O5S/c28-21(11-14-3-6-19-20(10-14)32-9-8-31-19)24-22-17-12-15(4-5-18(17)25-26-22)27-33(29,30)16-2-1-7-23-13-16/h1-7,10,12-13,27H,8-9,11H2,(H2,24,25,26,28)
InChIKeyZXCRACSMQXCWBH-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.71
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide (PubChem CID 177233074) has the molecular formula C22H19N5O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
PubChem CID177233074
Molecular FormulaC22H19N5O5S
Molecular Weight465.49 g/mol
Exact Mass465.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2ccc(NS(=O)(=O)c3cccnc3)cc12
InChIInChI=1S/C22H19N5O5S/c28-21(11-14-3-6-19-20(10-14)32-9-8-31-19)24-22-17-12-15(4-5-18(17)25-26-22)27-33(29,30)16-2-1-7-23-13-16/h1-7,10,12-13,27H,8-9,11H2,(H2,24,25,26,28)
InChIKeyZXCRACSMQXCWBH-UHFFFAOYSA-N
XLogP2.71
TPSA135.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide 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

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-[(1-methylpyrazol-4-yl)sulfonylamino]-1H-indazol-3-yl]acetamide
CID 177233441
[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
CID 177233031
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(oxolan-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
CID 177233438
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 177233443
benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate
CID 177233354
N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 177233091
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
CID 177233021
N-(5-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233134
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1,3,5-triazin-2-yloxy)-1H-indazol-3-yl]acetamide
CID 177233030
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
CID 177233153
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium-3-yl)acetamide
CID 177232998
N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233182

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide (CID 177233074) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide is O=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2ccc(NS(=O)(=O)c3cccnc3)cc12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide?
The InChIKey is ZXCRACSMQXCWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5S/c28-21(11-14-3-6-19-20(10-14)32-9-8-31-19)24-22-17-12-15(4-5-18(17)25-26-22)27-33(29,30)16-2-1-7-23-13-16/h1-7,10,12-13,27H,8-9,11H2,(H2,24,25,26,28).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide has a molecular weight of 465.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 177233074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).