1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone

C23H21N3O2 — CID 171537760

IUPAC1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(Oc3ccc4c(C)nn(C)c4c3)ccn2)cc1C
InChIInChI=1S/C23H21N3O2/c1-14-11-17(5-7-20(14)16(3)27)22-12-19(9-10-24-22)28-18-6-8-21-15(2)25-26(4)23(21)13-18/h5-13H,1-4H3
InChIKeyVKPFGWOOZGHXOX-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.25
Rot. Bonds4

About 1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone

1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone (PubChem CID 171537760) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone
PubChem CID171537760
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(Oc3ccc4c(C)nn(C)c4c3)ccn2)cc1C
InChIInChI=1S/C23H21N3O2/c1-14-11-17(5-7-20(14)16(3)27)22-12-19(9-10-24-22)28-18-6-8-21-15(2)25-26(4)23(21)13-18/h5-13H,1-4H3
InChIKeyVKPFGWOOZGHXOX-UHFFFAOYSA-N
XLogP5.25
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone (CID 171537760) is 1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone is CC(=O)c1ccc(-c2cc(Oc3ccc4c(C)nn(C)c4c3)ccn2)cc1C.
What is the InChIKey of 1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone?
The InChIKey is VKPFGWOOZGHXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-14-11-17(5-7-20(14)16(3)27)22-12-19(9-10-24-22)28-18-6-8-21-15(2)25-26(4)23(21)13-18/h5-13H,1-4H3.
What are the key properties of 1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone?
1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone is sourced from PubChem (CID 171537760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).