7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one

C17H16F2N4O — CID 146421483

IUPAC7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCNNC(C)c1nc2ccc(F)cn2c(=O)c1-c1cccc(F)c1
InChIInChI=1S/C17H16F2N4O/c1-10(22-20-2)16-15(11-4-3-5-12(18)8-11)17(24)23-9-13(19)6-7-14(23)21-16/h3-10,20,22H,1-2H3
InChIKeyRIZIXLPOKDBKQN-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.42
Rot. Bonds4

About 7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one

7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 146421483) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID146421483
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCNNC(C)c1nc2ccc(F)cn2c(=O)c1-c1cccc(F)c1
InChIInChI=1S/C17H16F2N4O/c1-10(22-20-2)16-15(11-4-3-5-12(18)8-11)17(24)23-9-13(19)6-7-14(23)21-16/h3-10,20,22H,1-2H3
InChIKeyRIZIXLPOKDBKQN-UHFFFAOYSA-N
XLogP2.42
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one (CID 146421483) is 7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one is CNNC(C)c1nc2ccc(F)cn2c(=O)c1-c1cccc(F)c1.
What is the InChIKey of 7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RIZIXLPOKDBKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-10(22-20-2)16-15(11-4-3-5-12(18)8-11)17(24)23-9-13(19)6-7-14(23)21-16/h3-10,20,22H,1-2H3.
What are the key properties of 7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one?
7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 330.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(3-fluorophenyl)-2-[1-(2-methylhydrazinyl)ethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146421483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).