4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one

C21H18ClN3O2 — CID 86582974

IUPAC4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one
SMILESCc1c2cc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)ccc2nn1C
InChIInChI=1S/C21H18ClN3O2/c1-14-19-11-17(7-8-20(19)23-24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3
InChIKeyILAODGHSGTUINL-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.27
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one

4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one (PubChem CID 86582974) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one
PubChem CID86582974
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one
SMILESCc1c2cc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)ccc2nn1C
InChIInChI=1S/C21H18ClN3O2/c1-14-19-11-17(7-8-20(19)23-24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3
InChIKeyILAODGHSGTUINL-UHFFFAOYSA-N
XLogP4.27
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one (CID 86582974) is 4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one is Cc1c2cc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)ccc2nn1C.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one?
The InChIKey is ILAODGHSGTUINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14-19-11-17(7-8-20(19)23-24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one?
4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one has a molecular weight of 379.85 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-1-(2,3-dimethylindazol-5-yl)pyridin-2-one is sourced from PubChem (CID 86582974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).