5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one

C18H20N2O5 — CID 10521372

IUPAC5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one
SMILESCOc1ccc2c(c1)c(=O)[nH]n2Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-22-12-5-6-14-13(9-12)18(21)19-20(14)10-11-7-15(23-2)17(25-4)16(8-11)24-3/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyGFSMDRDTSMFTDI-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.41
Rot. Bonds6

About 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one

5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one (PubChem CID 10521372) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one.

Molecular Properties

Compound Name5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one
PubChem CID10521372
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one
SMILESCOc1ccc2c(c1)c(=O)[nH]n2Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-22-12-5-6-14-13(9-12)18(21)19-20(14)10-11-7-15(23-2)17(25-4)16(8-11)24-3/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyGFSMDRDTSMFTDI-UHFFFAOYSA-N
XLogP2.41
TPSA74.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one
CID 68729523
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one
CID 10732532
2-(2,5-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3817988
5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole
CID 164622798
5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one
CID 110169575
5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione
CID 90419144
7-methoxy-3,3-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1,4-dihydroisoquinoline
CID 141219882
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
1-benzyl-3,6-bis[(4-methoxyphenyl)methylsulfanyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-2,5-dione
CID 101399116
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
6-methoxy-1-propan-2-yl-2H-indazol-3-one
CID 105458890

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one?
The IUPAC name of 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one (CID 10521372) is 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one.
What is the SMILES notation for 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one?
The canonical SMILES for 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one is COc1ccc2c(c1)c(=O)[nH]n2Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one?
The InChIKey is GFSMDRDTSMFTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-22-12-5-6-14-13(9-12)18(21)19-20(14)10-11-7-15(23-2)17(25-4)16(8-11)24-3/h5-9H,10H2,1-4H3,(H,19,21).
What are the key properties of 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one?
5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one has a molecular weight of 344.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one is sourced from PubChem (CID 10521372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).