2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide

C19H19N3O4 — CID 157010407

IUPAC2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cc(-c2cccc3[nH]ncc23)cc(C=O)c1OCC(=O)N(C)C
InChIInChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyLDHIKLLVVUEYPE-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.52
Rot. Bonds6

About 2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide

2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide (PubChem CID 157010407) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide
PubChem CID157010407
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide
SMILESCOc1cc(-c2cccc3[nH]ncc23)cc(C=O)c1OCC(=O)N(C)C
InChIInChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyLDHIKLLVVUEYPE-UHFFFAOYSA-N
XLogP2.52
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-{[7-(1H-indazol-6-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]carbonyl}-phenyl)ethanone
CID 59605039
2-[2-formyl-4-(1H-indazol-4-yl)phenoxy]-N,N-dimethylacetamide
CID 156587568
8-(1H-indazol-5-yl)-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 164612314
example I-1 [WO2023283831]
CID 167993660
3-[1-[2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]acetyl]pyrrolidin-3-yl]-N,N-dimethylbenzamide
CID 178314242
(4-fluoro-2-methylphenyl)-[7-(1H-indazol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 59604490
[3-methoxy-4-[6-(trifluoromethyl)-1H-indazol-4-yl]phenyl]-morpholin-4-ylmethanone
CID 89782918
5-[2-ethoxy-4-[1H-indazol-4-ylmethyl(methyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
CID 165385075
3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-4-ylmethyl)-N-methylbenzamide
CID 171426377
2-[2-(2-hydroxyacetyl)-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 166594724
2-[2-(dimethylamino)-2-oxoethoxy]-5-(1H-indazol-4-yl)-3-methoxybenzenecarbothioic S-acid
CID 156905836
3-ethoxy-4-(4-fluoro-3-propanoylphenyl)-N-(1H-indazol-4-ylmethyl)-N-methylbenzamide
CID 167606858

Frequently Asked Questions

What is the IUPAC name of 2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide (CID 157010407) is 2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide is COc1cc(-c2cccc3[nH]ncc23)cc(C=O)c1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
The InChIKey is LDHIKLLVVUEYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide?
2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide has a molecular weight of 353.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-formyl-4-(1H-indazol-4-yl)-6-methoxyphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 157010407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).