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

C20H25N5O3 — CID 110240675

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

1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110240675) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110240675
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCCCC1c1ncc2c(n1)CCN(C(=O)c1c(C)noc1C)C2
• InChI: InChI=1S/C20H25N5O3/c1-12-18(13(2)28-23-12)20(27)24-9-7-16-15(11-24)10-21-19(22-16)17-6-4-5-8-25(17)14(3)26/h10,17H,4-9,11H2,1-3H3
• InChIKey: HDGULNKDFPWPSZ-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 92.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 110240675) is 1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-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-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1c1ncc2c(n1)CCN(C(=O)c1c(C)noc1C)C2.

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

The InChIKey is HDGULNKDFPWPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12-18(13(2)28-23-12)20(27)24-9-7-16-15(11-24)10-21-19(22-16)17-6-4-5-8-25(17)14(3)26/h10,17H,4-9,11H2,1-3H3.

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

1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 383.45 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110240675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).