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

C26H25F3N6O2 — CID 174278695

IUPAC5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one
SMILESCc1cnc2cc(C3CCN(c4c(C)cccc4F)CC3)c(=O)n(Cc3nccnc3OC(F)F)c2n1
InChIInChI=1S/C26H25F3N6O2/c1-15-4-3-5-19(27)22(15)34-10-6-17(7-11-34)18-12-20-23(33-16(2)13-32-20)35(25(18)36)14-21-24(37-26(28)29)31-9-8-30-21/h3-5,8-9,12-13,17,26H,6-7,10-11,14H2,1-2H3
InChIKeyYYZDIMLZJCDIGI-UHFFFAOYSA-N
MW510.52 g/mol
LogP4.37
Rot. Bonds6

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

5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one (PubChem CID 174278695) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is 5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one
PubChem CID174278695
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC Name5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one
SMILESCc1cnc2cc(C3CCN(c4c(C)cccc4F)CC3)c(=O)n(Cc3nccnc3OC(F)F)c2n1
InChIInChI=1S/C26H25F3N6O2/c1-15-4-3-5-19(27)22(15)34-10-6-17(7-11-34)18-12-20-23(33-16(2)13-32-20)35(25(18)36)14-21-24(37-26(28)29)31-9-8-30-21/h3-5,8-9,12-13,17,26H,6-7,10-11,14H2,1-2H3
InChIKeyYYZDIMLZJCDIGI-UHFFFAOYSA-N
XLogP4.37
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one (CID 174278695) is 5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one is Cc1cnc2cc(C3CCN(c4c(C)cccc4F)CC3)c(=O)n(Cc3nccnc3OC(F)F)c2n1.
What is the InChIKey of 5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one?
The InChIKey is YYZDIMLZJCDIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c1-15-4-3-5-19(27)22(15)34-10-6-17(7-11-34)18-12-20-23(33-16(2)13-32-20)35(25(18)36)14-21-24(37-26(28)29)31-9-8-30-21/h3-5,8-9,12-13,17,26H,6-7,10-11,14H2,1-2H3.
What are the key properties of 5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one?
5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one has a molecular weight of 510.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174278695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).