2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C21H17F2N3O — CID 53147058

IUPAC2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C21H17F2N3O/c22-17-5-1-14(2-6-17)11-20(27)26-10-9-19-16(13-26)12-24-21(25-19)15-3-7-18(23)8-4-15/h1-8,12H,9-11,13H2
InChIKeyFMPLDMQJYILKNT-UHFFFAOYSA-N
MW365.38 g/mol
LogP3.55
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 53147058) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID53147058
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC Name2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C21H17F2N3O/c22-17-5-1-14(2-6-17)11-20(27)26-10-9-19-16(13-26)12-24-21(25-19)15-3-7-18(23)8-4-15/h1-8,12H,9-11,13H2
InChIKeyFMPLDMQJYILKNT-UHFFFAOYSA-N
XLogP3.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 53147058) is 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is FMPLDMQJYILKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c22-17-5-1-14(2-6-17)11-20(27)26-10-9-19-16(13-26)12-24-21(25-19)15-3-7-18(23)8-4-15/h1-8,12H,9-11,13H2.
What are the key properties of 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 365.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 53147058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).