N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide

C24H21N3O4 — CID 69060568

IUPACN-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c3cc(-c4cccc(C(C)=O)c4)ccc23)c(OC)c1
InChIInChI=1S/C24H21N3O4/c1-14(28)15-5-4-6-16(11-15)17-7-9-19-21(12-17)26-27-23(19)25-24(29)20-10-8-18(30-2)13-22(20)31-3/h4-13H,1-3H3,(H2,25,26,27,29)
InChIKeySSQAIOXZKSPCMG-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.70
Rot. Bonds6

About N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide

N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide (PubChem CID 69060568) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
PubChem CID69060568
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c3cc(-c4cccc(C(C)=O)c4)ccc23)c(OC)c1
InChIInChI=1S/C24H21N3O4/c1-14(28)15-5-4-6-16(11-15)17-7-9-19-21(12-17)26-27-23(19)25-24(29)20-10-8-18(30-2)13-22(20)31-3/h4-13H,1-3H3,(H2,25,26,27,29)
InChIKeySSQAIOXZKSPCMG-UHFFFAOYSA-N
XLogP4.70
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
CID 69061980
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
CID 69069520
2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 69063393
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065277
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
CID 162674603
3-(2-amino-1-chloro-2-oxoethyl)-N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 175103815

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide (CID 69060568) is N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2n[nH]c3cc(-c4cccc(C(C)=O)c4)ccc23)c(OC)c1.
What is the InChIKey of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is SSQAIOXZKSPCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-14(28)15-5-4-6-16(11-15)17-7-9-19-21(12-17)26-27-23(19)25-24(29)20-10-8-18(30-2)13-22(20)31-3/h4-13H,1-3H3,(H2,25,26,27,29).
What are the key properties of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide?
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide has a molecular weight of 415.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 69060568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).