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

C20H15BrFN3O — CID 53147017

IUPAC(2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C20H15BrFN3O/c21-17-4-2-1-3-16(17)20(26)25-10-9-18-14(12-25)11-23-19(24-18)13-5-7-15(22)8-6-13/h1-8,11H,9-10,12H2
InChIKeyFEVJTMDESGJLSB-UHFFFAOYSA-N
MW412.26 g/mol
LogP4.24
Rot. Bonds2

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

(2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 53147017) has the molecular formula C20H15BrFN3O and a molecular weight of 412.26 g/mol. Its IUPAC name is (2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID53147017
Molecular FormulaC20H15BrFN3O
Molecular Weight412.26 g/mol
Exact Mass411.04
IUPAC Name(2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESO=C(c1ccccc1Br)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C20H15BrFN3O/c21-17-4-2-1-3-16(17)20(26)25-10-9-18-14(12-25)11-23-19(24-18)13-5-7-15(22)8-6-13/h1-8,11H,9-10,12H2
InChIKeyFEVJTMDESGJLSB-UHFFFAOYSA-N
XLogP4.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 53147017) is (2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is O=C(c1ccccc1Br)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of (2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is FEVJTMDESGJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFN3O/c21-17-4-2-1-3-16(17)20(26)25-10-9-18-14(12-25)11-23-19(24-18)13-5-7-15(22)8-6-13/h1-8,11H,9-10,12H2.
What are the key properties of (2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 412.26 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 53147017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).