5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole

C23H22N4O — CID 86766337

IUPAC5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole
SMILESc1ccc(-n2ncc3cc(Oc4ncccc4C4CCCCC4)ccc32)nc1
InChIInChI=1S/C23H22N4O/c1-2-7-17(8-3-1)20-9-6-14-25-23(20)28-19-11-12-21-18(15-19)16-26-27(21)22-10-4-5-13-24-22/h4-6,9-17H,1-3,7-8H2
InChIKeyYZLAAEMVOZUOMK-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.66
Rot. Bonds4

About 5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole

5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole (PubChem CID 86766337) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole.

Molecular Properties

Compound Name5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole
PubChem CID86766337
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole
SMILESc1ccc(-n2ncc3cc(Oc4ncccc4C4CCCCC4)ccc32)nc1
InChIInChI=1S/C23H22N4O/c1-2-7-17(8-3-1)20-9-6-14-25-23(20)28-19-11-12-21-18(15-19)16-26-27(21)22-10-4-5-13-24-22/h4-6,9-17H,1-3,7-8H2
InChIKeyYZLAAEMVOZUOMK-UHFFFAOYSA-N
XLogP5.66
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole?
The IUPAC name of 5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole (CID 86766337) is 5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole.
What is the SMILES notation for 5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole?
The canonical SMILES for 5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole is c1ccc(-n2ncc3cc(Oc4ncccc4C4CCCCC4)ccc32)nc1.
What is the InChIKey of 5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole?
The InChIKey is YZLAAEMVOZUOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-2-7-17(8-3-1)20-9-6-14-25-23(20)28-19-11-12-21-18(15-19)16-26-27(21)22-10-4-5-13-24-22/h4-6,9-17H,1-3,7-8H2.
What are the key properties of 5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole?
5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole has a molecular weight of 370.46 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclohexyl-2-pyridinyl)oxy]-1-pyridin-2-ylindazole is sourced from PubChem (CID 86766337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).