7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one

C19H21FN4O2 — CID 145329620

IUPAC7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one
SMILESC=C/C(=C\C(=C)C)c1ncn2ccn(CC(=O)N3CC(C)(F)C3)c(=O)c12
InChIInChI=1S/C19H21FN4O2/c1-5-14(8-13(2)3)16-17-18(26)22(6-7-23(17)12-21-16)9-15(25)24-10-19(4,20)11-24/h5-8,12H,1-2,9-11H2,3-4H3/b14-8+
InChIKeyCKOCDKXJQKRZTJ-RIYZIHGNSA-N
MW356.40 g/mol
LogP2.21
Rot. Bonds5

About 7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one

7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one (PubChem CID 145329620) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one
PubChem CID145329620
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one
SMILESC=C/C(=C\C(=C)C)c1ncn2ccn(CC(=O)N3CC(C)(F)C3)c(=O)c12
InChIInChI=1S/C19H21FN4O2/c1-5-14(8-13(2)3)16-17-18(26)22(6-7-23(17)12-21-16)9-15(25)24-10-19(4,20)11-24/h5-8,12H,1-2,9-11H2,3-4H3/b14-8+
InChIKeyCKOCDKXJQKRZTJ-RIYZIHGNSA-N
XLogP2.21
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one (CID 145329620) is 7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one is C=C/C(=C\C(=C)C)c1ncn2ccn(CC(=O)N3CC(C)(F)C3)c(=O)c12.
What is the InChIKey of 7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one?
The InChIKey is CKOCDKXJQKRZTJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-5-14(8-13(2)3)16-17-18(26)22(6-7-23(17)12-21-16)9-15(25)24-10-19(4,20)11-24/h5-8,12H,1-2,9-11H2,3-4H3/b14-8+.
What are the key properties of 7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one?
7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one has a molecular weight of 356.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 145329620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).