2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

C17H15FN4O3 — CID 67912587

IUPAC2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESCN1C(=O)COc2cc(F)c(-n3c(C#N)c4n(c3=O)CCCC4)cc21
InChIInChI=1S/C17H15FN4O3/c1-20-13-7-12(10(18)6-15(13)25-9-16(20)23)22-14(8-19)11-4-2-3-5-21(11)17(22)24/h6-7H,2-5,9H2,1H3
InChIKeyYASNBBYNSMLJQK-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.34
Rot. Bonds1

About 2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 67912587) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID67912587
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESCN1C(=O)COc2cc(F)c(-n3c(C#N)c4n(c3=O)CCCC4)cc21
InChIInChI=1S/C17H15FN4O3/c1-20-13-7-12(10(18)6-15(13)25-9-16(20)23)22-14(8-19)11-4-2-3-5-21(11)17(22)24/h6-7H,2-5,9H2,1H3
InChIKeyYASNBBYNSMLJQK-UHFFFAOYSA-N
XLogP1.34
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (CID 67912587) is 2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is CN1C(=O)COc2cc(F)c(-n3c(C#N)c4n(c3=O)CCCC4)cc21.
What is the InChIKey of 2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is YASNBBYNSMLJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-20-13-7-12(10(18)6-15(13)25-9-16(20)23)22-14(8-19)11-4-2-3-5-21(11)17(22)24/h6-7H,2-5,9H2,1H3.
What are the key properties of 2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 342.33 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 67912587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).