1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone

C21H24N4O2 — CID 92549152

About 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone

1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone (PubChem CID 92549152) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone.

Molecular Properties

• Compound Name: 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
• PubChem CID: 92549152
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
• SMILES: CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1)C2
• InChI: InChI=1S/C21H24N4O2/c1-15(26)25-10-5-8-19(25)21-22-13-17-14-24(11-9-18(17)23-21)20(27)12-16-6-3-2-4-7-16/h2-4,6-7,13,19H,5,8-12,14H2,1H3/t19-/m0/s1
• InChIKey: FEHLMPOVRXBJRE-IBGZPJMESA-N
• XLogP: 2.29
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone?

The IUPAC name of 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone (CID 92549152) is 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone.

What is the SMILES notation for 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone?

The canonical SMILES for 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone is CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1)C2.

What is the InChIKey of 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone?

The InChIKey is FEHLMPOVRXBJRE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(26)25-10-5-8-19(25)21-22-13-17-14-24(11-9-18(17)23-21)20(27)12-16-6-3-2-4-7-16/h2-4,6-7,13,19H,5,8-12,14H2,1H3/t19-/m0/s1.

What are the key properties of 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone?

1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone has a molecular weight of 364.45 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone is sourced from PubChem (CID 92549152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).