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

C19H18N4O2 — CID 134806562

IUPAC7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCN1Cc2nc(-c3cnn(Cc4ccccc4)c3)ccc2OCC1=O
InChIInChI=1S/C19H18N4O2/c1-22-12-17-18(25-13-19(22)24)8-7-16(21-17)15-9-20-23(11-15)10-14-5-3-2-4-6-14/h2-9,11H,10,12-13H2,1H3
InChIKeyMAQAXWCKLCLYOS-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.34
Rot. Bonds3

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

7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134806562) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134806562
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESCN1Cc2nc(-c3cnn(Cc4ccccc4)c3)ccc2OCC1=O
InChIInChI=1S/C19H18N4O2/c1-22-12-17-18(25-13-19(22)24)8-7-16(21-17)15-9-20-23(11-15)10-14-5-3-2-4-6-14/h2-9,11H,10,12-13H2,1H3
InChIKeyMAQAXWCKLCLYOS-UHFFFAOYSA-N
XLogP2.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134806562) is 7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one is CN1Cc2nc(-c3cnn(Cc4ccccc4)c3)ccc2OCC1=O.
What is the InChIKey of 7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is MAQAXWCKLCLYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-22-12-17-18(25-13-19(22)24)8-7-16(21-17)15-9-20-23(11-15)10-14-5-3-2-4-6-14/h2-9,11H,10,12-13H2,1H3.
What are the key properties of 7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 334.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpyrazol-4-yl)-4-methyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134806562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).