8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid

C25H33F3N4O3 — CID 11237254

IUPAC8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H32N4O.C2HF3O2/c1-6-8-13-26(7-2)20-14-17(5)24-23-22(20)25-21(28)15-27(23)19-11-9-18(10-12-19)16(3)4;3-2(4,5)1(6)7/h9-12,14,16H,6-8,13,15H2,1-5H3,(H,25,28);(H,6,7)
InChIKeyXYGOXKHGDAYKQY-UHFFFAOYSA-N
MW494.56 g/mol
LogP5.86
Rot. Bonds7

About 8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid

8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 11237254) has the molecular formula C25H33F3N4O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is 8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID11237254
Molecular FormulaC25H33F3N4O3
Molecular Weight494.56 g/mol
Exact Mass494.25
IUPAC Name8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
SMILESCCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H32N4O.C2HF3O2/c1-6-8-13-26(7-2)20-14-17(5)24-23-22(20)25-21(28)15-27(23)19-11-9-18(10-12-19)16(3)4;3-2(4,5)1(6)7/h9-12,14,16H,6-8,13,15H2,1-5H3,(H,25,28);(H,6,7)
InChIKeyXYGOXKHGDAYKQY-UHFFFAOYSA-N
XLogP5.86
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid (CID 11237254) is 8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid is CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C(C)C)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is XYGOXKHGDAYKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O.C2HF3O2/c1-6-8-13-26(7-2)20-14-17(5)24-23-22(20)25-21(28)15-27(23)19-11-9-18(10-12-19)16(3)4;3-2(4,5)1(6)7/h9-12,14,16H,6-8,13,15H2,1-5H3,(H,25,28);(H,6,7).
What are the key properties of 8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 494.56 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[butyl(ethyl)amino]-6-methyl-4-(4-propan-2-ylphenyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11237254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).