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

C21H25F4N5O — CID 151711792

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

5-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine (PubChem CID 151711792) has the molecular formula C21H25F4N5O and a molecular weight of 439.46 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine.

Molecular Properties

• Compound Name: 5-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
• PubChem CID: 151711792
• Molecular Formula: C21H25F4N5O
• Molecular Weight: 439.46 g/mol
• Exact Mass: 439.20
• IUPAC Name: 5-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
• SMILES: CN1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N)nc2C1CC(F)F
• InChI: InChI=1S/C21H25F4N5O/c1-29-7-6-15-19(16(29)11-18(24)25)28-20(26)21(27-15)30-8-4-13(5-9-30)31-17-3-2-12(22)10-14(17)23/h2-3,10,13,16,18H,4-9,11H2,1H3,(H2,26,28)
• InChIKey: RGSKJWKHTPRAMZ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 67.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.46
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine (CID 151711792) is 5-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine.

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

The canonical SMILES for 5-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine is CN1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(N)nc2C1CC(F)F.

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

The InChIKey is RGSKJWKHTPRAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F4N5O/c1-29-7-6-15-19(16(29)11-18(24)25)28-20(26)21(27-15)30-8-4-13(5-9-30)31-17-3-2-12(22)10-14(17)23/h2-3,10,13,16,18H,4-9,11H2,1H3,(H2,26,28).

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

5-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine has a molecular weight of 439.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 151711792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).