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

C20H23FN4O — CID 92548939

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

1-[(3R)-3-[6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 92548939) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[(3R)-3-[6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 92548939
• Molecular Formula: C20H23FN4O
• Molecular Weight: 354.43 g/mol
• Exact Mass: 354.19
• IUPAC Name: 1-[(3R)-3-[6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(Cc2cccc(F)c2)C3)C1
• InChI: InChI=1S/C20H23FN4O/c1-14(26)25-8-5-16(13-25)20-22-10-17-12-24(7-6-19(17)23-20)11-15-3-2-4-18(21)9-15/h2-4,9-10,16H,5-8,11-13H2,1H3/t16-/m1/s1
• InChIKey: WHFNXZGAUSEJBG-MRXNPFEDSA-N
• XLogP: 2.51
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.43
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-3-[6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 92548939) is 1-[(3R)-3-[6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

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

The canonical SMILES for 1-[(3R)-3-[6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(Cc2cccc(F)c2)C3)C1.

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

The InChIKey is WHFNXZGAUSEJBG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-14(26)25-8-5-16(13-25)20-22-10-17-12-24(7-6-19(17)23-20)11-15-3-2-4-18(21)9-15/h2-4,9-10,16H,5-8,11-13H2,1H3/t16-/m1/s1.

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

1-[(3R)-3-[6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 354.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92548939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).