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

C23H18ClFN4O — CID 24915939

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

5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole (PubChem CID 24915939) has the molecular formula C23H18ClFN4O and a molecular weight of 420.88 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole.

Molecular Properties

• Compound Name: 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole
• PubChem CID: 24915939
• Molecular Formula: C23H18ClFN4O
• Molecular Weight: 420.88 g/mol
• Exact Mass: 420.12
• IUPAC Name: 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole
• SMILES: Fc1cccc(-c2cc(CN3CCc4nc(-c5ccc(Cl)cc5)ncc4C3)on2)c1
• InChI: InChI=1S/C23H18ClFN4O/c24-18-6-4-15(5-7-18)23-26-12-17-13-29(9-8-21(17)27-23)14-20-11-22(28-30-20)16-2-1-3-19(25)10-16/h1-7,10-12H,8-9,13-14H2
• InChIKey: BVAPKIOKCJRFMK-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 55.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.88
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole?

The IUPAC name of 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole (CID 24915939) is 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole.

What is the SMILES notation for 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole?

The canonical SMILES for 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole is Fc1cccc(-c2cc(CN3CCc4nc(-c5ccc(Cl)cc5)ncc4C3)on2)c1.

What is the InChIKey of 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole?

The InChIKey is BVAPKIOKCJRFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O/c24-18-6-4-15(5-7-18)23-26-12-17-13-29(9-8-21(17)27-23)14-20-11-22(28-30-20)16-2-1-3-19(25)10-16/h1-7,10-12H,8-9,13-14H2.

What are the key properties of 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole?

5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole has a molecular weight of 420.88 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 24915939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).