(4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

C24H22F2N4O2 — CID 91516240

IUPAC(4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=NC(c2ccc(F)c(NC(=O)C3=CN(C)C(=O)C[C@H]3c3ccc(F)cc3)c2)C=NC1
InChIInChI=1S/C24H22F2N4O2/c1-14-11-27-12-22(28-14)16-5-8-20(26)21(9-16)29-24(32)19-13-30(2)23(31)10-18(19)15-3-6-17(25)7-4-15/h3-9,12-13,18,22H,10-11H2,1-2H3,(H,29,32)/t18-,22?/m0/s1
InChIKeyRCCAWZKSDPCPLH-HXBUSHRASA-N
MW436.46 g/mol
LogP4.02
Rot. Bonds4

About (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

(4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 91516240) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID91516240
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC Name(4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=NC(c2ccc(F)c(NC(=O)C3=CN(C)C(=O)C[C@H]3c3ccc(F)cc3)c2)C=NC1
InChIInChI=1S/C24H22F2N4O2/c1-14-11-27-12-22(28-14)16-5-8-20(26)21(9-16)29-24(32)19-13-30(2)23(31)10-18(19)15-3-6-17(25)7-4-15/h3-9,12-13,18,22H,10-11H2,1-2H3,(H,29,32)/t18-,22?/m0/s1
InChIKeyRCCAWZKSDPCPLH-HXBUSHRASA-N
XLogP4.02
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 91516240) is (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is CC1=NC(c2ccc(F)c(NC(=O)C3=CN(C)C(=O)C[C@H]3c3ccc(F)cc3)c2)C=NC1.
What is the InChIKey of (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is RCCAWZKSDPCPLH-HXBUSHRASA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-14-11-27-12-22(28-14)16-5-8-20(26)21(9-16)29-24(32)19-13-30(2)23(31)10-18(19)15-3-6-17(25)7-4-15/h3-9,12-13,18,22H,10-11H2,1-2H3,(H,29,32)/t18-,22?/m0/s1.
What are the key properties of (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
(4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-fluoro-5-(6-methyl-2,5-dihydropyrazin-2-yl)phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 91516240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).