6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C26H30FN5O — CID 20960959

About 6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960959) has the molecular formula C26H30FN5O and a molecular weight of 447.56 g/mol. Its IUPAC name is 6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 20960959
• Molecular Formula: C26H30FN5O
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.24
• IUPAC Name: 6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CCOc1cccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1
• InChI: InChI=1S/C26H30FN5O/c1-2-33-22-7-5-6-20(16-22)18-30-11-10-24-21(19-30)17-28-26(29-24)32-14-12-31(13-15-32)25-9-4-3-8-23(25)27/h3-9,16-17H,2,10-15,18-19H2,1H3
• InChIKey: OWPJZMIQTJXHGN-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 44.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960959) is 6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1cccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)c1.

What is the InChIKey of 6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is OWPJZMIQTJXHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O/c1-2-33-22-7-5-6-20(16-22)18-30-11-10-24-21(19-30)17-28-26(29-24)32-14-12-31(13-15-32)25-9-4-3-8-23(25)27/h3-9,16-17H,2,10-15,18-19H2,1H3.

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

6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 447.56 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-ethoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).