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

C21H27N5O3 — CID 110240681

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

1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110240681) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110240681
• Molecular Formula: C21H27N5O3
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.21
• IUPAC Name: 1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: CCCc1cc(C(=O)N2CCc3nc(C4CCCCN4C(C)=O)ncc3C2)no1
• InChI: InChI=1S/C21H27N5O3/c1-3-6-16-11-18(24-29-16)21(28)25-10-8-17-15(13-25)12-22-20(23-17)19-7-4-5-9-26(19)14(2)27/h11-12,19H,3-10,13H2,1-2H3
• InChIKey: POGBZTYCAJDYMR-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 92.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 110240681) is 1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is CCCc1cc(C(=O)N2CCc3nc(C4CCCCN4C(C)=O)ncc3C2)no1.

What is the InChIKey of 1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?

The InChIKey is POGBZTYCAJDYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-3-6-16-11-18(24-29-16)21(28)25-10-8-17-15(13-25)12-22-20(23-17)19-7-4-5-9-26(19)14(2)27/h11-12,19H,3-10,13H2,1-2H3.

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

1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 397.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-(5-propyl-1,2-oxazole-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110240681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).