6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole

C18H19N3O5 — CID 91052701

IUPAC6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole
SMILESCOc1ccc2c(C(N=O)c3cc(OC)c(OC)c(OC)c3)[nH]nc2c1
InChIInChI=1S/C18H19N3O5/c1-23-11-5-6-12-13(9-11)19-20-17(12)16(21-22)10-7-14(24-2)18(26-4)15(8-10)25-3/h5-9,16H,1-4H3,(H,19,20)
InChIKeyKASPIGWUGYOZHJ-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.45
Rot. Bonds7

About 6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole

6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole (PubChem CID 91052701) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole.

Molecular Properties

Compound Name6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole
PubChem CID91052701
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole
SMILESCOc1ccc2c(C(N=O)c3cc(OC)c(OC)c(OC)c3)[nH]nc2c1
InChIInChI=1S/C18H19N3O5/c1-23-11-5-6-12-13(9-11)19-20-17(12)16(21-22)10-7-14(24-2)18(26-4)15(8-10)25-3/h5-9,16H,1-4H3,(H,19,20)
InChIKeyKASPIGWUGYOZHJ-UHFFFAOYSA-N
XLogP3.45
TPSA95.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole?
The IUPAC name of 6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole (CID 91052701) is 6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole.
What is the SMILES notation for 6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole?
The canonical SMILES for 6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole is COc1ccc2c(C(N=O)c3cc(OC)c(OC)c(OC)c3)[nH]nc2c1.
What is the InChIKey of 6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole?
The InChIKey is KASPIGWUGYOZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-23-11-5-6-12-13(9-11)19-20-17(12)16(21-22)10-7-14(24-2)18(26-4)15(8-10)25-3/h5-9,16H,1-4H3,(H,19,20).
What are the key properties of 6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole?
6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole has a molecular weight of 357.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[nitroso-(3,4,5-trimethoxyphenyl)methyl]-2H-indazole is sourced from PubChem (CID 91052701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).