2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone

C23H19FN4O — CID 159804984

IUPAC2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2cc3ncc(Nc4ccccc4)nc3nc2C)ccc1F
InChIInChI=1S/C23H19FN4O/c1-14-10-16(8-9-19(14)24)21(29)12-17-11-20-23(26-15(17)2)28-22(13-25-20)27-18-6-4-3-5-7-18/h3-11,13H,12H2,1-2H3,(H,26,27,28)
InChIKeyNKGVORZYEFJYSZ-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.95
Rot. Bonds5

About 2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone

2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 159804984) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID159804984
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)Cc2cc3ncc(Nc4ccccc4)nc3nc2C)ccc1F
InChIInChI=1S/C23H19FN4O/c1-14-10-16(8-9-19(14)24)21(29)12-17-11-20-23(26-15(17)2)28-22(13-25-20)27-18-6-4-3-5-7-18/h3-11,13H,12H2,1-2H3,(H,26,27,28)
InChIKeyNKGVORZYEFJYSZ-UHFFFAOYSA-N
XLogP4.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone (CID 159804984) is 2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)Cc2cc3ncc(Nc4ccccc4)nc3nc2C)ccc1F.
What is the InChIKey of 2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is NKGVORZYEFJYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-14-10-16(8-9-19(14)24)21(29)12-17-11-20-23(26-15(17)2)28-22(13-25-20)27-18-6-4-3-5-7-18/h3-11,13H,12H2,1-2H3,(H,26,27,28).
What are the key properties of 2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 386.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 159804984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).