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

C24H21FN4O — CID 158022078

IUPAC1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one
SMILESCc1cc(CC(=O)Cc2cc3ncc(Nc4ccccc4)nc3nc2C)ccc1F
InChIInChI=1S/C24H21FN4O/c1-15-10-17(8-9-21(15)25)11-20(30)12-18-13-22-24(27-16(18)2)29-23(14-26-22)28-19-6-4-3-5-7-19/h3-10,13-14H,11-12H2,1-2H3,(H,27,28,29)
InChIKeyFGEHGVQHYUIRPC-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.88
Rot. Bonds6

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

1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one (PubChem CID 158022078) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one
PubChem CID158022078
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one
SMILESCc1cc(CC(=O)Cc2cc3ncc(Nc4ccccc4)nc3nc2C)ccc1F
InChIInChI=1S/C24H21FN4O/c1-15-10-17(8-9-21(15)25)11-20(30)12-18-13-22-24(27-16(18)2)29-23(14-26-22)28-19-6-4-3-5-7-19/h3-10,13-14H,11-12H2,1-2H3,(H,27,28,29)
InChIKeyFGEHGVQHYUIRPC-UHFFFAOYSA-N
XLogP4.88
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one?
The IUPAC name of 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one (CID 158022078) is 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one is Cc1cc(CC(=O)Cc2cc3ncc(Nc4ccccc4)nc3nc2C)ccc1F.
What is the InChIKey of 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one?
The InChIKey is FGEHGVQHYUIRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-15-10-17(8-9-21(15)25)11-20(30)12-18-13-22-24(27-16(18)2)29-23(14-26-22)28-19-6-4-3-5-7-19/h3-10,13-14H,11-12H2,1-2H3,(H,27,28,29).
What are the key properties of 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one?
1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one has a molecular weight of 400.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilino-6-methylpyrido[2,3-b]pyrazin-7-yl)-3-(4-fluoro-3-methylphenyl)propan-2-one is sourced from PubChem (CID 158022078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).