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

C25H21N5O3 — CID 177233186

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide
SMILESCn1c(-c2ccc3[nH]nc(NC(=O)Cc4ccc5c(c4)OCCO5)c3c2)nc2ccccc21
InChIInChI=1S/C25H21N5O3/c1-30-20-5-3-2-4-19(20)26-25(30)16-7-8-18-17(14-16)24(29-28-18)27-23(31)13-15-6-9-21-22(12-15)33-11-10-32-21/h2-9,12,14H,10-11,13H2,1H3,(H2,27,28,29,31)
InChIKeyYEEFBSXQUBFXEW-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.07
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide (PubChem CID 177233186) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide
PubChem CID177233186
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide
SMILESCn1c(-c2ccc3[nH]nc(NC(=O)Cc4ccc5c(c4)OCCO5)c3c2)nc2ccccc21
InChIInChI=1S/C25H21N5O3/c1-30-20-5-3-2-4-19(20)26-25(30)16-7-8-18-17(14-16)24(29-28-18)27-23(31)13-15-6-9-21-22(12-15)33-11-10-32-21/h2-9,12,14H,10-11,13H2,1H3,(H2,27,28,29,31)
InChIKeyYEEFBSXQUBFXEW-UHFFFAOYSA-N
XLogP4.07
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233182
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-[5-(4-methyl-1,3-thiazol-5-yl)-1H-indazol-3-yl]acetamide
CID 177233494
[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
CID 177233031
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-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 177233443
N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 177233091
benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate
CID 177233354
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-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide
CID 142656167
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide (CID 177233186) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide is Cn1c(-c2ccc3[nH]nc(NC(=O)Cc4ccc5c(c4)OCCO5)c3c2)nc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide?
The InChIKey is YEEFBSXQUBFXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-30-20-5-3-2-4-19(20)26-25(30)16-7-8-18-17(14-16)24(29-28-18)27-23(31)13-15-6-9-21-22(12-15)33-11-10-32-21/h2-9,12,14H,10-11,13H2,1H3,(H2,27,28,29,31).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide has a molecular weight of 439.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylbenzimidazol-2-yl)-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 177233186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).