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

C20H15BrFN3O — CID 53147055

IUPAC(3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C20H15BrFN3O/c21-16-3-1-2-14(10-16)20(26)25-9-8-18-15(12-25)11-23-19(24-18)13-4-6-17(22)7-5-13/h1-7,10-11H,8-9,12H2
InChIKeyBPLHFFDPUNRQCI-UHFFFAOYSA-N
MW412.26 g/mol
LogP4.24
Rot. Bonds2

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

(3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 53147055) has the molecular formula C20H15BrFN3O and a molecular weight of 412.26 g/mol. Its IUPAC name is (3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID53147055
Molecular FormulaC20H15BrFN3O
Molecular Weight412.26 g/mol
Exact Mass411.04
IUPAC Name(3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C20H15BrFN3O/c21-16-3-1-2-14(10-16)20(26)25-9-8-18-15(12-25)11-23-19(24-18)13-4-6-17(22)7-5-13/h1-7,10-11H,8-9,12H2
InChIKeyBPLHFFDPUNRQCI-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

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

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Related Compounds

2-[4-(4-Bromobenzoyl)-1-piperazinyl]pyrimidine
CID 845062
3-bromo-5-(4-fluorophenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 46231551
2-(3-bromophenyl)-N-(2-pyrimidinyl)-4-quinolinecarboxamide
CID 1000857
2-[4-(2-Bromobenzoyl)-1-piperazinyl]pyrimidine
CID 2059832
1-(3-Bromobenzoyl)-4-(2-pyridinyl)piperazine
CID 875397
Rel-2-(3-fluorophenyl)-1-[(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[D]pyrimidin-10-YL]ethanone
CID 110196680
4-[1-(3-Fluorobenzoyl)piperidin-3-yl]-2-(4-fluorophenyl)pyrimidine
CID 53137680
2-(4-Fluorophenyl)-4-[1-(2-methylbenzoyl)piperidin-3-yl]pyrimidine
CID 53137682
4-(1-benzoylpiperidin-3-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 53140055
{3-[2-(3-Fluoroanilino)-4-pyrimidinyl]piperidino}(4-fluorophenyl)methanone
CID 53140078
4-(1-benzoylpiperidin-3-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 53140089
N-(4-Bromo-3-fluorophenyl)-2-phenyl-4-(pyridin-4-YL)pyrimidine-5-carboxamide
CID 53143535

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 53147055) is (3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is O=C(c1cccc(Br)c1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of (3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is BPLHFFDPUNRQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFN3O/c21-16-3-1-2-14(10-16)20(26)25-9-8-18-15(12-25)11-23-19(24-18)13-4-6-17(22)7-5-13/h1-7,10-11H,8-9,12H2.
What are the key properties of (3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(3-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 (3-bromophenyl)-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 53147055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).