5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole

C19H19FN2O2 — CID 170557163

IUPAC5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole
SMILESCOc1cc2c(cnn2C2CCOCC2)cc1-c1ccccc1F
InChIInChI=1S/C19H19FN2O2/c1-23-19-11-18-13(10-16(19)15-4-2-3-5-17(15)20)12-21-22(18)14-6-8-24-9-7-14/h2-5,10-12,14H,6-9H2,1H3
InChIKeyRYEBZNUUICZXOD-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.20
Rot. Bonds3

About 5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole

5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole (PubChem CID 170557163) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole
PubChem CID170557163
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole
SMILESCOc1cc2c(cnn2C2CCOCC2)cc1-c1ccccc1F
InChIInChI=1S/C19H19FN2O2/c1-23-19-11-18-13(10-16(19)15-4-2-3-5-17(15)20)12-21-22(18)14-6-8-24-9-7-14/h2-5,10-12,14H,6-9H2,1H3
InChIKeyRYEBZNUUICZXOD-UHFFFAOYSA-N
XLogP4.20
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine
CID 121416628
6-chloro-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 166460362
7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 169156279
5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
CID 86686362
6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine
CID 171554154
5-bromo-4-fluoro-1-(oxolan-3-yl)indazole
CID 134385161
[7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid
CID 174225986
N-[[4-[5-amino-4-cyano-1-(oxan-4-yl)pyrazol-3-yl]-3-fluorophenyl]methyl]-2-methoxybenzamide
CID 137358739
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
4-tert-butyl-5-(4-cyclopropyl-2-fluorophenyl)-1-(oxan-4-yl)pyrazole
CID 156729980
5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole
CID 117231838
1-[5-(6-bromo-2-fluoro-3-pyridinyl)-1-(oxan-4-yl)pyrazol-4-yl]ethanone
CID 167531567

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole?
The IUPAC name of 5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole (CID 170557163) is 5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole.
What is the SMILES notation for 5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole?
The canonical SMILES for 5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole is COc1cc2c(cnn2C2CCOCC2)cc1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole?
The InChIKey is RYEBZNUUICZXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-23-19-11-18-13(10-16(19)15-4-2-3-5-17(15)20)12-21-22(18)14-6-8-24-9-7-14/h2-5,10-12,14H,6-9H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole?
5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole has a molecular weight of 326.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-methoxy-1-(oxan-4-yl)indazole is sourced from PubChem (CID 170557163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).