4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

C17H17N3O — CID 68995833

IUPAC4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1Cc2cc(O)ccc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C17H17N3O/c1-20-9-13-6-14(21)4-5-15(13)16(10-20)11-2-3-12-8-18-19-17(12)7-11/h2-8,16,21H,9-10H2,1H3,(H,18,19)
InChIKeyJNQYAGLGYLQOGW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.85
Rot. Bonds1

About 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 68995833) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID68995833
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1Cc2cc(O)ccc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C17H17N3O/c1-20-9-13-6-14(21)4-5-15(13)16(10-20)11-2-3-12-8-18-19-17(12)7-11/h2-8,16,21H,9-10H2,1H3,(H,18,19)
InChIKeyJNQYAGLGYLQOGW-UHFFFAOYSA-N
XLogP2.85
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
CID 136901416
4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 155540488
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide
CID 155545338
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 155547921
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155549690
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide
CID 155552853
N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155554939
N-[6-(4-hydroxy-2-methylphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155560413
Fgfr2-IN-2
CID 157049298
4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
CID 162643640
4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
CID 162651974
4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol
CID 162676829

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (CID 68995833) is 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is CN1Cc2cc(O)ccc2C(c2ccc3cn[nH]c3c2)C1.
What is the InChIKey of 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is JNQYAGLGYLQOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20-9-13-6-14(21)4-5-15(13)16(10-20)11-2-3-12-8-18-19-17(12)7-11/h2-8,16,21H,9-10H2,1H3,(H,18,19).
What are the key properties of 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 279.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 68995833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).