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

C27H25FN4O2 — CID 159890741

IUPAC1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one
SMILESCC(=O)Cc1ccc(Nc2cnc3cc(CC(=O)Cc4ccc(F)c(C)c4)c(C)nc3n2)cc1
InChIInChI=1S/C27H25FN4O2/c1-16-10-20(6-9-24(16)28)12-23(34)13-21-14-25-27(30-18(21)3)32-26(15-29-25)31-22-7-4-19(5-8-22)11-17(2)33/h4-10,14-15H,11-13H2,1-3H3,(H,30,31,32)
InChIKeyNUSIFZLETXAIBA-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.01
Rot. Bonds8

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

1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one (PubChem CID 159890741) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one
PubChem CID159890741
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one
SMILESCC(=O)Cc1ccc(Nc2cnc3cc(CC(=O)Cc4ccc(F)c(C)c4)c(C)nc3n2)cc1
InChIInChI=1S/C27H25FN4O2/c1-16-10-20(6-9-24(16)28)12-23(34)13-21-14-25-27(30-18(21)3)32-26(15-29-25)31-22-7-4-19(5-8-22)11-17(2)33/h4-10,14-15H,11-13H2,1-3H3,(H,30,31,32)
InChIKeyNUSIFZLETXAIBA-UHFFFAOYSA-N
XLogP5.01
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one (CID 159890741) is 1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one is CC(=O)Cc1ccc(Nc2cnc3cc(CC(=O)Cc4ccc(F)c(C)c4)c(C)nc3n2)cc1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one?
The InChIKey is NUSIFZLETXAIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-16-10-20(6-9-24(16)28)12-23(34)13-21-14-25-27(30-18(21)3)32-26(15-29-25)31-22-7-4-19(5-8-22)11-17(2)33/h4-10,14-15H,11-13H2,1-3H3,(H,30,31,32).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one?
1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one has a molecular weight of 456.52 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-[6-methyl-3-[4-(2-oxopropyl)anilino]pyrido[2,3-b]pyrazin-7-yl]propan-2-one is sourced from PubChem (CID 159890741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).