1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

C26H27F3N6O — CID 170793711

About 1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (PubChem CID 170793711) has the molecular formula C26H27F3N6O and a molecular weight of 496.54 g/mol. Its IUPAC name is 1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
• PubChem CID: 170793711
• Molecular Formula: C26H27F3N6O
• Molecular Weight: 496.54 g/mol
• Exact Mass: 496.22
• IUPAC Name: 1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
• SMILES: CC(=O)N1CCc2nc(N3CCC(Cc4cc(F)ccc4F)CC3)c(-c3ccc(F)c(N)n3)nc2C1
• InChI: InChI=1S/C26H27F3N6O/c1-15(36)35-11-8-21-23(14-35)31-24(22-5-4-20(29)25(30)32-22)26(33-21)34-9-6-16(7-10-34)12-17-13-18(27)2-3-19(17)28/h2-5,13,16H,6-12,14H2,1H3,(H2,30,32)
• InChIKey: JLJSZWOWGSVRDP-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 88.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.54
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (CID 170793711) is 1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone.

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

The canonical SMILES for 1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is CC(=O)N1CCc2nc(N3CCC(Cc4cc(F)ccc4F)CC3)c(-c3ccc(F)c(N)n3)nc2C1.

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

The InChIKey is JLJSZWOWGSVRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O/c1-15(36)35-11-8-21-23(14-35)31-24(22-5-4-20(29)25(30)32-22)26(33-21)34-9-6-16(7-10-34)12-17-13-18(27)2-3-19(17)28/h2-5,13,16H,6-12,14H2,1H3,(H2,30,32).

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

1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone has a molecular weight of 496.54 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6-amino-5-fluoro-2-pyridinyl)-2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is sourced from PubChem (CID 170793711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).