6-(1-benzylindol-5-yl)-2-methylindazole

C23H19N3 — CID 162413674

IUPAC6-(1-benzylindol-5-yl)-2-methylindazole
SMILESCn1cc2ccc(-c3ccc4c(ccn4Cc4ccccc4)c3)cc2n1
InChIInChI=1S/C23H19N3/c1-25-16-21-8-7-19(14-22(21)24-25)18-9-10-23-20(13-18)11-12-26(23)15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3
InChIKeyBWBQGKSUJMBXJF-UHFFFAOYSA-N
MW337.43 g/mol
LogP5.24
Rot. Bonds3

About 6-(1-benzylindol-5-yl)-2-methylindazole

6-(1-benzylindol-5-yl)-2-methylindazole (PubChem CID 162413674) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-(1-benzylindol-5-yl)-2-methylindazole.

Molecular Properties

Compound Name6-(1-benzylindol-5-yl)-2-methylindazole
PubChem CID162413674
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name6-(1-benzylindol-5-yl)-2-methylindazole
SMILESCn1cc2ccc(-c3ccc4c(ccn4Cc4ccccc4)c3)cc2n1
InChIInChI=1S/C23H19N3/c1-25-16-21-8-7-19(14-22(21)24-25)18-9-10-23-20(13-18)11-12-26(23)15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3
InChIKeyBWBQGKSUJMBXJF-UHFFFAOYSA-N
XLogP5.24
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylindol-5-yl)-2-methylindazole?
The IUPAC name of 6-(1-benzylindol-5-yl)-2-methylindazole (CID 162413674) is 6-(1-benzylindol-5-yl)-2-methylindazole.
What is the SMILES notation for 6-(1-benzylindol-5-yl)-2-methylindazole?
The canonical SMILES for 6-(1-benzylindol-5-yl)-2-methylindazole is Cn1cc2ccc(-c3ccc4c(ccn4Cc4ccccc4)c3)cc2n1.
What is the InChIKey of 6-(1-benzylindol-5-yl)-2-methylindazole?
The InChIKey is BWBQGKSUJMBXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-25-16-21-8-7-19(14-22(21)24-25)18-9-10-23-20(13-18)11-12-26(23)15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3.
What are the key properties of 6-(1-benzylindol-5-yl)-2-methylindazole?
6-(1-benzylindol-5-yl)-2-methylindazole has a molecular weight of 337.43 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylindol-5-yl)-2-methylindazole is sourced from PubChem (CID 162413674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).