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

C27H31F2N7O2 — CID 170794245

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

1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (PubChem CID 170794245) has the molecular formula C27H31F2N7O2 and a molecular weight of 523.59 g/mol. Its IUPAC name is 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-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-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
• PubChem CID: 170794245
• Molecular Formula: C27H31F2N7O2
• Molecular Weight: 523.59 g/mol
• Exact Mass: 523.25
• IUPAC Name: 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
• SMILES: CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(-c3cnc4n3CCN(C)C4)nc2C1
• InChI: InChI=1S/C27H31F2N7O2/c1-17(37)35-10-7-21-22(15-35)31-26(23-14-30-25-16-33(2)11-12-36(23)25)27(32-21)34-8-5-19(6-9-34)38-24-4-3-18(28)13-20(24)29/h3-4,13-14,19H,5-12,15-16H2,1-2H3
• InChIKey: KMXQRDMLAVNNSA-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 79.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.59
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-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-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone (CID 170794245) is 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-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-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-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-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is CC(=O)N1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(-c3cnc4n3CCN(C)C4)nc2C1.

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

The InChIKey is KMXQRDMLAVNNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N7O2/c1-17(37)35-10-7-21-22(15-35)31-26(23-14-30-25-16-33(2)11-12-36(23)25)27(32-21)34-8-5-19(6-9-34)38-24-4-3-18(28)13-20(24)29/h3-4,13-14,19H,5-12,15-16H2,1-2H3.

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

1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone has a molecular weight of 523.59 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone is sourced from PubChem (CID 170794245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).