4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol

C22H17N3O2 — CID 135839332

IUPAC4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3c(-c4cc5ccccc5[nH]4)n[nH]c3c2)ccc1O
InChIInChI=1S/C22H17N3O2/c1-27-21-12-14(7-9-20(21)26)13-6-8-16-18(10-13)24-25-22(16)19-11-15-4-2-3-5-17(15)23-19/h2-12,23,26H,1H3,(H,24,25)
InChIKeyYANIJISPXQRULY-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.09
Rot. Bonds3

About 4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol

4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol (PubChem CID 135839332) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
PubChem CID135839332
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3c(-c4cc5ccccc5[nH]4)n[nH]c3c2)ccc1O
InChIInChI=1S/C22H17N3O2/c1-27-21-12-14(7-9-20(21)26)13-6-8-16-18(10-13)24-25-22(16)19-11-15-4-2-3-5-17(15)23-19/h2-12,23,26H,1H3,(H,24,25)
InChIKeyYANIJISPXQRULY-UHFFFAOYSA-N
XLogP5.09
TPSA73.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-4-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}phenol
CID 135508121
4-(3-(1H-Benzimidazol-2-YL)-1H-indazol-6-YL)-2-methoxyphenol
CID 135446004
2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol
CID 135928471
4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 135839302
3-(Naphthalen-2-yl)-6-(3-methoxy4-hydroxy-phenyl)-1H-indazole
CID 135839319
4-[3-(6-amino-1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
CID 136123435
3-(5-methoxy-1H-indol-2-yl)-1H-indazole
CID 136199382
5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol
CID 7118245
4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]-2-methoxyphenol
CID 86766641
2-(2-hydroxyethoxy)-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 135839318
2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 135839325
2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol
CID 135839326

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol (CID 135839332) is 4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol is COc1cc(-c2ccc3c(-c4cc5ccccc5[nH]4)n[nH]c3c2)ccc1O.
What is the InChIKey of 4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol?
The InChIKey is YANIJISPXQRULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-27-21-12-14(7-9-20(21)26)13-6-8-16-18(10-13)24-25-22(16)19-11-15-4-2-3-5-17(15)23-19/h2-12,23,26H,1H3,(H,24,25).
What are the key properties of 4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol?
4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol has a molecular weight of 355.40 g/mol, XLogP of 5.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol is sourced from PubChem (CID 135839332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).