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

C20H19FN4O — CID 24915956

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

5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-fluorophenyl)-1,2-oxazole (PubChem CID 24915956) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-fluorophenyl)-1,2-oxazole.

Molecular Properties

• Compound Name: 5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-fluorophenyl)-1,2-oxazole
• PubChem CID: 24915956
• Molecular Formula: C20H19FN4O
• Molecular Weight: 350.40 g/mol
• Exact Mass: 350.15
• IUPAC Name: 5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-fluorophenyl)-1,2-oxazole
• SMILES: Fc1ccccc1-c1cc(CN2CCc3nc(C4CC4)ncc3C2)on1
• InChI: InChI=1S/C20H19FN4O/c21-17-4-2-1-3-16(17)19-9-15(26-24-19)12-25-8-7-18-14(11-25)10-22-20(23-18)13-5-6-13/h1-4,9-10,13H,5-8,11-12H2
• InChIKey: LMVFQHLFXYZYIP-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 55.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.40
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-fluorophenyl)-1,2-oxazole (CID 24915956) is 5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-fluorophenyl)-1,2-oxazole.

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

The canonical SMILES for 5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-fluorophenyl)-1,2-oxazole is Fc1ccccc1-c1cc(CN2CCc3nc(C4CC4)ncc3C2)on1.

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

The InChIKey is LMVFQHLFXYZYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-17-4-2-1-3-16(17)19-9-15(26-24-19)12-25-8-7-18-14(11-25)10-22-20(23-18)13-5-6-13/h1-4,9-10,13H,5-8,11-12H2.

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

5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-fluorophenyl)-1,2-oxazole has a molecular weight of 350.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-3-(2-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 24915956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).