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

C20H16FN3O2 — CID 134806875

IUPAC4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(-c3ccncc3)nc2CN1Cc1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2/c21-16-3-1-14(2-4-16)11-24-12-18-19(26-13-20(24)25)6-5-17(23-18)15-7-9-22-10-8-15/h1-10H,11-13H2
InChIKeyLFUOELPDKDEOIJ-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.20
Rot. Bonds3

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

4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134806875) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134806875
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(-c3ccncc3)nc2CN1Cc1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2/c21-16-3-1-14(2-4-16)11-24-12-18-19(26-13-20(24)25)6-5-17(23-18)15-7-9-22-10-8-15/h1-10H,11-13H2
InChIKeyLFUOELPDKDEOIJ-UHFFFAOYSA-N
XLogP3.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134806875) is 4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one is O=C1COc2ccc(-c3ccncc3)nc2CN1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is LFUOELPDKDEOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-16-3-1-14(2-4-16)11-24-12-18-19(26-13-20(24)25)6-5-17(23-18)15-7-9-22-10-8-15/h1-10H,11-13H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 349.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-7-pyridin-4-yl-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134806875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).