4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

C25H27FN4O4S — CID 46126462

About 4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (PubChem CID 46126462) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
• PubChem CID: 46126462
• Molecular Formula: C25H27FN4O4S
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.17
• IUPAC Name: 4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
• SMILES: COc1cccc(Cc2nc3c(c(N4CCOCC4)n2)CN(S(=O)(=O)c2ccc(F)cc2)CC3)c1
• InChI: InChI=1S/C25H27FN4O4S/c1-33-20-4-2-3-18(15-20)16-24-27-23-9-10-30(35(31,32)21-7-5-19(26)6-8-21)17-22(23)25(28-24)29-11-13-34-14-12-29/h2-8,15H,9-14,16-17H2,1H3
• InChIKey: KFYKGJLBGKNNIB-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 84.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (CID 46126462) is 4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.

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

The canonical SMILES for 4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is COc1cccc(Cc2nc3c(c(N4CCOCC4)n2)CN(S(=O)(=O)c2ccc(F)cc2)CC3)c1.

What is the InChIKey of 4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?

The InChIKey is KFYKGJLBGKNNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c1-33-20-4-2-3-18(15-20)16-24-27-23-9-10-30(35(31,32)21-7-5-19(26)6-8-21)17-22(23)25(28-24)29-11-13-34-14-12-29/h2-8,15H,9-14,16-17H2,1H3.

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

4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 498.58 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4-fluorophenyl)sulfonyl-2-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46126462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).