7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C21H22N4O3 — CID 134806225

IUPAC7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOCCN1Cc2nc(-c3cnn(Cc4ccccc4)c3)ccc2OCC1=O
InChIInChI=1S/C21H22N4O3/c1-27-10-9-24-14-19-20(28-15-21(24)26)8-7-18(23-19)17-11-22-25(13-17)12-16-5-3-2-4-6-16/h2-8,11,13H,9-10,12,14-15H2,1H3
InChIKeyHVULDRRZYPFPFZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.36
Rot. Bonds6

About 7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one

7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134806225) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134806225
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCOCCN1Cc2nc(-c3cnn(Cc4ccccc4)c3)ccc2OCC1=O
InChIInChI=1S/C21H22N4O3/c1-27-10-9-24-14-19-20(28-15-21(24)26)8-7-18(23-19)17-11-22-25(13-17)12-16-5-3-2-4-6-16/h2-8,11,13H,9-10,12,14-15H2,1H3
InChIKeyHVULDRRZYPFPFZ-UHFFFAOYSA-N
XLogP2.36
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134806225) is 7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is COCCN1Cc2nc(-c3cnn(Cc4ccccc4)c3)ccc2OCC1=O.
What is the InChIKey of 7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is HVULDRRZYPFPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-10-9-24-14-19-20(28-15-21(24)26)8-7-18(23-19)17-11-22-25(13-17)12-16-5-3-2-4-6-16/h2-8,11,13H,9-10,12,14-15H2,1H3.
What are the key properties of 7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 378.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpyrazol-4-yl)-4-(2-methoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134806225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).