7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one

C28H29FN6O — CID 174277660

IUPAC7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one
SMILESCc1cnc2cc(C3CCN(c4c(C)cccc4F)CC3)c(=O)n(C3CCCc4nccnc43)c2n1
InChIInChI=1S/C28H29FN6O/c1-17-5-3-6-21(29)26(17)34-13-9-19(10-14-34)20-15-23-27(33-18(2)16-32-23)35(28(20)36)24-8-4-7-22-25(24)31-12-11-30-22/h3,5-6,11-12,15-16,19,24H,4,7-10,13-14H2,1-2H3
InChIKeyCAOYLFFESXJMEH-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.65
Rot. Bonds3

About 7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one

7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one (PubChem CID 174277660) has the molecular formula C28H29FN6O and a molecular weight of 484.58 g/mol. Its IUPAC name is 7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one
PubChem CID174277660
Molecular FormulaC28H29FN6O
Molecular Weight484.58 g/mol
Exact Mass484.24
IUPAC Name7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one
SMILESCc1cnc2cc(C3CCN(c4c(C)cccc4F)CC3)c(=O)n(C3CCCc4nccnc43)c2n1
InChIInChI=1S/C28H29FN6O/c1-17-5-3-6-21(29)26(17)34-13-9-19(10-14-34)20-15-23-27(33-18(2)16-32-23)35(28(20)36)24-8-4-7-22-25(24)31-12-11-30-22/h3,5-6,11-12,15-16,19,24H,4,7-10,13-14H2,1-2H3
InChIKeyCAOYLFFESXJMEH-UHFFFAOYSA-N
XLogP4.65
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one (CID 174277660) is 7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one is Cc1cnc2cc(C3CCN(c4c(C)cccc4F)CC3)c(=O)n(C3CCCc4nccnc43)c2n1.
What is the InChIKey of 7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one?
The InChIKey is CAOYLFFESXJMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O/c1-17-5-3-6-21(29)26(17)34-13-9-19(10-14-34)20-15-23-27(33-18(2)16-32-23)35(28(20)36)24-8-4-7-22-25(24)31-12-11-30-22/h3,5-6,11-12,15-16,19,24H,4,7-10,13-14H2,1-2H3.
What are the key properties of 7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one?
7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one has a molecular weight of 484.58 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methyl-5-(5,6,7,8-tetrahydroquinoxalin-5-yl)pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174277660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).