4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one

C23H23N3O2 — CID 175601464

IUPAC4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1ccc2cnn(CCc3ccccc3)c2c1
InChIInChI=1S/C23H23N3O2/c1-3-28-22-14-23(27)25(2)16-20(22)18-9-10-19-15-24-26(21(19)13-18)12-11-17-7-5-4-6-8-17/h4-10,13-16H,3,11-12H2,1-2H3
InChIKeyPTURNXSFOBUDKQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.04
Rot. Bonds6

About 4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one

4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one (PubChem CID 175601464) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one
PubChem CID175601464
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1ccc2cnn(CCc3ccccc3)c2c1
InChIInChI=1S/C23H23N3O2/c1-3-28-22-14-23(27)25(2)16-20(22)18-9-10-19-15-24-26(21(19)13-18)12-11-17-7-5-4-6-8-17/h4-10,13-16H,3,11-12H2,1-2H3
InChIKeyPTURNXSFOBUDKQ-UHFFFAOYSA-N
XLogP4.04
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one?
The IUPAC name of 4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one (CID 175601464) is 4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one is CCOc1cc(=O)n(C)cc1-c1ccc2cnn(CCc3ccccc3)c2c1.
What is the InChIKey of 4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one?
The InChIKey is PTURNXSFOBUDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-28-22-14-23(27)25(2)16-20(22)18-9-10-19-15-24-26(21(19)13-18)12-11-17-7-5-4-6-8-17/h4-10,13-16H,3,11-12H2,1-2H3.
What are the key properties of 4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one?
4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one has a molecular weight of 373.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methyl-5-[1-(2-phenylethyl)indazol-6-yl]pyridin-2-one is sourced from PubChem (CID 175601464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).