2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C25H28FN5O2 — CID 21073233

About 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 21073233) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 21073233
• Molecular Formula: C25H28FN5O2
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.22
• IUPAC Name: 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: O=C1CCc2cnc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2N1
• InChI: InChI=1S/C25H28FN5O2/c26-20-7-3-5-18-6-4-8-21(23(18)20)31-14-12-30(13-15-31)11-1-2-16-33-25-27-17-19-9-10-22(32)28-24(19)29-25/h3-8,17H,1-2,9-16H2,(H,27,28,29,32)
• InChIKey: IVEQOMABUBRWDI-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 21073233) is 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is O=C1CCc2cnc(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2N1.

What is the InChIKey of 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IVEQOMABUBRWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c26-20-7-3-5-18-6-4-8-21(23(18)20)31-14-12-30(13-15-31)11-1-2-16-33-25-27-17-19-9-10-22(32)28-24(19)29-25/h3-8,17H,1-2,9-16H2,(H,27,28,29,32).

What are the key properties of 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 449.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 21073233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).