6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole

C16H15BrN2O2 — CID 168931973

IUPAC6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole
SMILESCOc1ccc(Cn2ncc3ccc(Br)c(OC)c32)cc1
InChIInChI=1S/C16H15BrN2O2/c1-20-13-6-3-11(4-7-13)10-19-15-12(9-18-19)5-8-14(17)16(15)21-2/h3-9H,10H2,1-2H3
InChIKeyATQJXKDCINWQFY-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.86
Rot. Bonds4

About 6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole

6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole (PubChem CID 168931973) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole.

Molecular Properties

Compound Name6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole
PubChem CID168931973
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole
SMILESCOc1ccc(Cn2ncc3ccc(Br)c(OC)c32)cc1
InChIInChI=1S/C16H15BrN2O2/c1-20-13-6-3-11(4-7-13)10-19-15-12(9-18-19)5-8-14(17)16(15)21-2/h3-9H,10H2,1-2H3
InChIKeyATQJXKDCINWQFY-UHFFFAOYSA-N
XLogP3.86
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(6-bromo-7-methoxyindazol-1-yl)acetate
CID 168932025
6-bromo-1-ethyl-7-(trideuteriomethoxy)indazole
CID 171437128
6-hydroxy-1-[(4-methoxyphenyl)methyl]indazole-7-carbonitrile
CID 168877274
1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridine
CID 71699687
[1-[(4-methoxyphenyl)methyl]indazol-6-yl]hydrazine
CID 155304137
5-bromo-2-[(4-methoxyphenyl)methyl]-4-(methylamino)pyridazin-3-one
CID 46930441
8-bromo-3-[(4-methoxyphenyl)methyl]-5H-pyrazolo[5,4-c]quinolin-4-one
CID 58412378
1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole
CID 79785127
6-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 150500294
1-benzylsulfonyl-6-bromo-7-methoxyindazole
CID 170334784
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 90391274
[7-cyano-1-[(4-methoxyphenyl)methyl]indazol-6-yl] trifluoromethanesulfonate
CID 168877216

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole?
The IUPAC name of 6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole (CID 168931973) is 6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole.
What is the SMILES notation for 6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole?
The canonical SMILES for 6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole is COc1ccc(Cn2ncc3ccc(Br)c(OC)c32)cc1.
What is the InChIKey of 6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole?
The InChIKey is ATQJXKDCINWQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-20-13-6-3-11(4-7-13)10-19-15-12(9-18-19)5-8-14(17)16(15)21-2/h3-9H,10H2,1-2H3.
What are the key properties of 6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole?
6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole has a molecular weight of 347.21 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole is sourced from PubChem (CID 168931973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).