7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole

C16H15BrN2O2 — CID 176556568

IUPAC7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole
SMILESCOc1ccc(-n2nc3c(Br)cc(OC)cc3c2C)cc1
InChIInChI=1S/C16H15BrN2O2/c1-10-14-8-13(21-3)9-15(17)16(14)18-19(10)11-4-6-12(20-2)7-5-11/h4-9H,1-3H3
InChIKeyONXDLENRDNDVSX-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.11
Rot. Bonds3

About 7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole

7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole (PubChem CID 176556568) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole.

Molecular Properties

Compound Name7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole
PubChem CID176556568
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole
SMILESCOc1ccc(-n2nc3c(Br)cc(OC)cc3c2C)cc1
InChIInChI=1S/C16H15BrN2O2/c1-10-14-8-13(21-3)9-15(17)16(14)18-19(10)11-4-6-12(20-2)7-5-11/h4-9H,1-3H3
InChIKeyONXDLENRDNDVSX-UHFFFAOYSA-N
XLogP4.11
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-5-methoxy-2-(4-methoxyphenyl)indazole
CID 176556601
5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole
CID 71518747
5-bromo-1-(4-methoxyphenyl)pyrazole
CID 79020309
2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one
CID 57393455
2-[5-bromo-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817986
N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63173161
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
6-bromo-2-(4-methoxyphenyl)benzotriazol-5-amine
CID 891890
6-chloro-2-(4-methoxyphenyl)pyridazin-3-one
CID 824695
3-bromo-1-(4-methoxyphenyl)pyrazole
CID 84707783
7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole
CID 22965623
2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 116818582

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole?
The IUPAC name of 7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole (CID 176556568) is 7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole.
What is the SMILES notation for 7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole?
The canonical SMILES for 7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole is COc1ccc(-n2nc3c(Br)cc(OC)cc3c2C)cc1.
What is the InChIKey of 7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole?
The InChIKey is ONXDLENRDNDVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-10-14-8-13(21-3)9-15(17)16(14)18-19(10)11-4-6-12(20-2)7-5-11/h4-9H,1-3H3.
What are the key properties of 7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole?
7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole has a molecular weight of 347.21 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole is sourced from PubChem (CID 176556568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).