4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid

C19H20ClF3N4O4 — CID 11431118

IUPAC4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
SMILESCCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C17H19ClN4O2.C2HF3O2/c1-4-19-13-7-10(2)20-17-16(13)21-15(23)9-22(17)14-6-5-11(24-3)8-12(14)18;3-2(4,5)1(6)7/h5-8H,4,9H2,1-3H3,(H,19,20)(H,21,23);(H,6,7)
InChIKeyOMBZSIUWKVHPHP-UHFFFAOYSA-N
MW460.84 g/mol
LogP4.21
Rot. Bonds4

About 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid

4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 11431118) has the molecular formula C19H20ClF3N4O4 and a molecular weight of 460.84 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID11431118
Molecular FormulaC19H20ClF3N4O4
Molecular Weight460.84 g/mol
Exact Mass460.11
IUPAC Name4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
SMILESCCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C17H19ClN4O2.C2HF3O2/c1-4-19-13-7-10(2)20-17-16(13)21-15(23)9-22(17)14-6-5-11(24-3)8-12(14)18;3-2(4,5)1(6)7/h5-8H,4,9H2,1-3H3,(H,19,20)(H,21,23);(H,6,7)
InChIKeyOMBZSIUWKVHPHP-UHFFFAOYSA-N
XLogP4.21
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.84
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

8-[Butyl(ethyl)amino]-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 11420977
8-[Butyl(ethyl)amino]-4-(2-chloro-5-fluoro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 11785948
8-[Butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 11181032
4-(2-Chloro-5-fluoro-4-methoxy-phenyl)-8-(ethyl-isopropyl-amino)-6-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 11211931
8-(Butylamino)-4-(2-chloro-4-methoxyphenyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid
CID 11202623
1-(2-Chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
CID 75435298
2-chloro-6-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11710780
7-(2-Chlorophenyl)-3-(4-methoxyphenyl)-8-piperazin-1-ylpurine-2,6-dione;2,2,2-trifluoroacetic acid
CID 22029578
6-chloro-4-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 57941079
4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 170347436
7-Chloro-1-methyl-4-[4-[4-(trifluoromethoxy)anilino]cyclohexyl]pyrido[2,3-b]pyrazine-2,3-dione
CID 170347442
8-(Butyl-ethyl-amino)-4-(2-chloro-5-fluoro-4-methoxy-phenyl)-6-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one; TFA
CID 9931946

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid (CID 11431118) is 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid is CCNc1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1Cl.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is OMBZSIUWKVHPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2.C2HF3O2/c1-4-19-13-7-10(2)20-17-16(13)21-15(23)9-22(17)14-6-5-11(24-3)8-12(14)18;3-2(4,5)1(6)7/h5-8H,4,9H2,1-3H3,(H,19,20)(H,21,23);(H,6,7).
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid?
4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 460.84 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methoxyphenyl)-8-(ethylamino)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11431118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).