2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol

C16H13N3O2 — CID 91063844

IUPAC2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol
SMILESCOc1ccc2cn(-c3ccc4[nH]ncc4c3)c(O)c2c1
InChIInChI=1S/C16H13N3O2/c1-21-13-4-2-10-9-19(16(20)14(10)7-13)12-3-5-15-11(6-12)8-17-18-15/h2-9,20H,1H3,(H,17,18)
InChIKeyGOMFCMBVXROWKO-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.22
Rot. Bonds2

About 2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol

2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol (PubChem CID 91063844) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol
PubChem CID91063844
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol
SMILESCOc1ccc2cn(-c3ccc4[nH]ncc4c3)c(O)c2c1
InChIInChI=1S/C16H13N3O2/c1-21-13-4-2-10-9-19(16(20)14(10)7-13)12-3-5-15-11(6-12)8-17-18-15/h2-9,20H,1H3,(H,17,18)
InChIKeyGOMFCMBVXROWKO-UHFFFAOYSA-N
XLogP3.22
TPSA63.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol
CID 91235499
6-methoxy-2-(4-methylquinolin-7-yl)isoindol-1-ol
CID 90806841
6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol
CID 90912330
5-(4-methoxyphenoxy)-1H-indazole
CID 22349444
ethane;6-methoxy-1H-indazole
CID 144719676
5-(2-cyclopropyl-4-methylimidazol-1-yl)-1H-indazole
CID 172763000
2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol
CID 91034080
5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole
CID 172744174
8-methoxy-3H-pyrazolo[3,4-c]quinoline
CID 141354745
2-chloro-1-(1H-indazol-5-yl)-6,7-dimethoxy-2H-quinazoline
CID 141099167
5-[(E)-2-(2-chloro-5-methoxyphenyl)but-1-enyl]-1H-indazole
CID 141327834
(5R)-5-[1-(4-fluorophenyl)pyrazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91502991

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol?
The IUPAC name of 2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol (CID 91063844) is 2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol.
What is the SMILES notation for 2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol?
The canonical SMILES for 2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol is COc1ccc2cn(-c3ccc4[nH]ncc4c3)c(O)c2c1.
What is the InChIKey of 2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol?
The InChIKey is GOMFCMBVXROWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-13-4-2-10-9-19(16(20)14(10)7-13)12-3-5-15-11(6-12)8-17-18-15/h2-9,20H,1H3,(H,17,18).
What are the key properties of 2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol?
2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol has a molecular weight of 279.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol is sourced from PubChem (CID 91063844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).