8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one

C28H23F3N6O — CID 154657122

IUPAC8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1cccc(CCNc2cc(=O)[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(C(F)(F)F)c4)nc23)n1
InChIInChI=1S/C28H23F3N6O/c1-16-7-6-10-20(33-16)11-12-32-21-15-23(38)35-27-26(21)36-25(24(37-27)18-8-4-3-5-9-18)19-13-17(2)34-22(14-19)28(29,30)31/h3-10,13-15H,11-12H2,1-2H3,(H2,32,35,37,38)
InChIKeyOBJIGUFVTYYMIX-UHFFFAOYSA-N
MW516.53 g/mol
LogP5.73
Rot. Bonds6

About 8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one

8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154657122) has the molecular formula C28H23F3N6O and a molecular weight of 516.53 g/mol. Its IUPAC name is 8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154657122
Molecular FormulaC28H23F3N6O
Molecular Weight516.53 g/mol
Exact Mass516.19
IUPAC Name8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1cccc(CCNc2cc(=O)[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(C(F)(F)F)c4)nc23)n1
InChIInChI=1S/C28H23F3N6O/c1-16-7-6-10-20(33-16)11-12-32-21-15-23(38)35-27-26(21)36-25(24(37-27)18-8-4-3-5-9-18)19-13-17(2)34-22(14-19)28(29,30)31/h3-10,13-15H,11-12H2,1-2H3,(H2,32,35,37,38)
InChIKeyOBJIGUFVTYYMIX-UHFFFAOYSA-N
XLogP5.73
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.53
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 154657122) is 8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is Cc1cccc(CCNc2cc(=O)[nH]c3nc(-c4ccccc4)c(-c4cc(C)nc(C(F)(F)F)c4)nc23)n1.
What is the InChIKey of 8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is OBJIGUFVTYYMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N6O/c1-16-7-6-10-20(33-16)11-12-32-21-15-23(38)35-27-26(21)36-25(24(37-27)18-8-4-3-5-9-18)19-13-17(2)34-22(14-19)28(29,30)31/h3-10,13-15H,11-12H2,1-2H3,(H2,32,35,37,38).
What are the key properties of 8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 516.53 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(6-methyl-2-pyridinyl)ethylamino]-2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154657122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).