1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

C25H30F2N4O3 — CID 170793804

About 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (PubChem CID 170793804) has the molecular formula C25H30F2N4O3 and a molecular weight of 472.54 g/mol. Its IUPAC name is 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
• PubChem CID: 170793804
• Molecular Formula: C25H30F2N4O3
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.23
• IUPAC Name: 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
• SMILES: CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(C3CCCOC3)nc2C1
• InChI: InChI=1S/C25H30F2N4O3/c1-16(32)31-11-8-21-22(14-31)28-24(17-3-2-12-33-15-17)25(29-21)30-9-6-19(7-10-30)34-23-5-4-18(26)13-20(23)27/h4-5,13,17,19H,2-3,6-12,14-15H2,1H3
• InChIKey: ABOMGBMIDNPCLZ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 67.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?

The IUPAC name of 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (CID 170793804) is 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone.

What is the SMILES notation for 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?

The canonical SMILES for 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(C3CCCOC3)nc2C1.

What is the InChIKey of 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?

The InChIKey is ABOMGBMIDNPCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O3/c1-16(32)31-11-8-21-22(14-31)28-24(17-3-2-12-33-15-17)25(29-21)30-9-6-19(7-10-30)34-23-5-4-18(26)13-20(23)27/h4-5,13,17,19H,2-3,6-12,14-15H2,1H3.

What are the key properties of 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone?

1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone has a molecular weight of 472.54 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(oxan-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is sourced from PubChem (CID 170793804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).