3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole

C22H17N3O — CID 135754604

IUPAC3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole
SMILESCOc1cccc(-c2ccc3c(-c4cc5ccccc5[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C22H17N3O/c1-26-17-7-4-6-14(11-17)15-9-10-18-20(12-15)24-25-22(18)21-13-16-5-2-3-8-19(16)23-21/h2-13,23H,1H3,(H,24,25)
InChIKeyMCPZPOLRLKXESY-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.39
Rot. Bonds3

About 3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole

3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole (PubChem CID 135754604) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole
PubChem CID135754604
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole
SMILESCOc1cccc(-c2ccc3c(-c4cc5ccccc5[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C22H17N3O/c1-26-17-7-4-6-14(11-17)15-9-10-18-20(12-15)24-25-22(18)21-13-16-5-2-3-8-19(16)23-21/h2-13,23H,1H3,(H,24,25)
InChIKeyMCPZPOLRLKXESY-UHFFFAOYSA-N
XLogP5.39
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-fluoro-4-pyridinyl)-3-(1H-indol-2-yl)-1H-indazole
CID 135532327
5-(3-methoxyphenyl)-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazole
CID 137308412
6-chloro-3-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1H-indazole
CID 71694716
2,7-bis(3-methoxyphenyl)-9H-carbazole
CID 141312734
3-(1H-indol-2-yl)-1H-indazole-6-sulfonamide
CID 135506581
5-(5-methoxy-3-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indazole
CID 137111841
2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
CID 137041381
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
CID 137310690
6-(4-methoxyphenyl)-1H-indazol-3-amine
CID 11564957
2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 137308252
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
[3-(1H-indol-2-yl)-1H-indazol-5-yl] 2-methylsulfonylbenzenesulfonate
CID 135855048

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole?
The IUPAC name of 3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole (CID 135754604) is 3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole.
What is the SMILES notation for 3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole?
The canonical SMILES for 3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole is COc1cccc(-c2ccc3c(-c4cc5ccccc5[nH]4)n[nH]c3c2)c1.
What is the InChIKey of 3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole?
The InChIKey is MCPZPOLRLKXESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-26-17-7-4-6-14(11-17)15-9-10-18-20(12-15)24-25-22(18)21-13-16-5-2-3-8-19(16)23-21/h2-13,23H,1H3,(H,24,25).
What are the key properties of 3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole?
3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole has a molecular weight of 339.40 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-6-(3-methoxyphenyl)-1H-indazole is sourced from PubChem (CID 135754604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).