5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one

C27H28F3N5O2 — CID 176552812

About 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one

5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one (PubChem CID 176552812) has the molecular formula C27H28F3N5O2 and a molecular weight of 511.55 g/mol. Its IUPAC name is 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one
• PubChem CID: 176552812
• Molecular Formula: C27H28F3N5O2
• Molecular Weight: 511.55 g/mol
• Exact Mass: 511.22
• IUPAC Name: 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one
• SMILES: CC1=CCCC(F)=C1N1CCC(c2cc3ncc(C)nc3n(Cc3ncccc3OC(F)F)c2=O)CC1
• InChI: InChI=1S/C27H28F3N5O2/c1-16-5-3-6-20(28)24(16)34-11-8-18(9-12-34)19-13-21-25(33-17(2)14-32-21)35(26(19)36)15-22-23(37-27(29)30)7-4-10-31-22/h4-5,7,10,13-14,18,27H,3,6,8-9,11-12,15H2,1-2H3
• InChIKey: LJNNICLXOJZZLO-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 73.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.55
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one?

The IUPAC name of 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one (CID 176552812) is 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one.

What is the SMILES notation for 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one?

The canonical SMILES for 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one is CC1=CCCC(F)=C1N1CCC(c2cc3ncc(C)nc3n(Cc3ncccc3OC(F)F)c2=O)CC1.

What is the InChIKey of 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one?

The InChIKey is LJNNICLXOJZZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N5O2/c1-16-5-3-6-20(28)24(16)34-11-8-18(9-12-34)19-13-21-25(33-17(2)14-32-21)35(26(19)36)15-22-23(37-27(29)30)7-4-10-31-22/h4-5,7,10,13-14,18,27H,3,6,8-9,11-12,15H2,1-2H3.

What are the key properties of 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one?

5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one has a molecular weight of 511.55 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 176552812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).