8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H18FN5O4 — CID 158402607

IUPAC8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCn1c(Cc2ccc(F)cc2)ncc(-c2ccc(Oc3ccnc4c3OCC(=O)N4)cn2)c1=O
InChIInChI=1S/C24H18FN5O4/c1-30-20(10-14-2-4-15(25)5-3-14)28-12-17(24(30)32)18-7-6-16(11-27-18)34-19-8-9-26-23-22(19)33-13-21(31)29-23/h2-9,11-12H,10,13H2,1H3,(H,26,29,31)
InChIKeySPTZFYLRJJXMBQ-UHFFFAOYSA-N
MW459.44 g/mol
LogP3.09
Rot. Bonds5

About 8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one

8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 158402607) has the molecular formula C24H18FN5O4 and a molecular weight of 459.44 g/mol. Its IUPAC name is 8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID158402607
Molecular FormulaC24H18FN5O4
Molecular Weight459.44 g/mol
Exact Mass459.13
IUPAC Name8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCn1c(Cc2ccc(F)cc2)ncc(-c2ccc(Oc3ccnc4c3OCC(=O)N4)cn2)c1=O
InChIInChI=1S/C24H18FN5O4/c1-30-20(10-14-2-4-15(25)5-3-14)28-12-17(24(30)32)18-7-6-16(11-27-18)34-19-8-9-26-23-22(19)33-13-21(31)29-23/h2-9,11-12H,10,13H2,1H3,(H,26,29,31)
InChIKeySPTZFYLRJJXMBQ-UHFFFAOYSA-N
XLogP3.09
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 158402607) is 8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one is Cn1c(Cc2ccc(F)cc2)ncc(-c2ccc(Oc3ccnc4c3OCC(=O)N4)cn2)c1=O.
What is the InChIKey of 8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is SPTZFYLRJJXMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O4/c1-30-20(10-14-2-4-15(25)5-3-14)28-12-17(24(30)32)18-7-6-16(11-27-18)34-19-8-9-26-23-22(19)33-13-21(31)29-23/h2-9,11-12H,10,13H2,1H3,(H,26,29,31).
What are the key properties of 8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 459.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-[2-[(4-fluorophenyl)methyl]-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 158402607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).