2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one

C₂₃H₂₅F₂N₅O₃ — CID 177311912

About 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one

2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one (PubChem CID 177311912) has the molecular formula C₂₃H₂₅F₂N₅O₃ and a molecular weight of 457.48 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one
• PubChem CID: 177311912
• Molecular Formula: C₂₃H₂₅F₂N₅O₃
• Molecular Weight: 457.48 g/mol
• Exact Mass: 457.19
• IUPAC Name: 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one
• SMILES: Cn1c(=O)ccc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N[C@@H]3CCOC3)nc21
• InChI: InChI=1S/C23H25F2N5O3/c1-29-20(31)5-3-18-22(29)28-21(26-15-8-11-32-13-15)23(27-18)30-9-6-16(7-10-30)33-19-4-2-14(24)12-17(19)25/h2-5,12,15-16H,6-11,13H2,1H3,(H,26,28)/t15-/m1/s1
• InChIKey: CQUAGMAGMFXUHL-OAHLLOKOSA-N
• XLogP: 2.86
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.48
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one?

The IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one (CID 177311912) is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one.

What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one?

The canonical SMILES for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one is Cn1c(=O)ccc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N[C@@H]3CCOC3)nc21.

What is the InChIKey of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one?

The InChIKey is CQUAGMAGMFXUHL-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-29-20(31)5-3-18-22(29)28-21(26-15-8-11-32-13-15)23(27-18)30-9-6-16(7-10-30)33-19-4-2-14(24)12-17(19)25/h2-5,12,15-16H,6-11,13H2,1H3,(H,26,28)/t15-/m1/s1.

What are the key properties of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one?

2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 457.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 177311912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177311912 — identifiers, structure, computed properties (public domain)

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