2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone

C23H21F3N4O — CID 88961397

IUPAC2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone
SMILESO=C(N1C=CN(c2ccc(/C=C3\CCCN=C3c3cccnc3)cc2)CC1)C(F)(F)F
InChIInChI=1S/C23H21F3N4O/c24-23(25,26)22(31)30-13-11-29(12-14-30)20-7-5-17(6-8-20)15-18-3-2-10-28-21(18)19-4-1-9-27-16-19/h1,4-9,11,13,15-16H,2-3,10,12,14H2/b18-15+
InChIKeyWZFCHPGPAFGHBX-OBGWFSINSA-N
MW426.44 g/mol
LogP4.43
Rot. Bonds3

About 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone (PubChem CID 88961397) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone
PubChem CID88961397
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC Name2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone
SMILESO=C(N1C=CN(c2ccc(/C=C3\CCCN=C3c3cccnc3)cc2)CC1)C(F)(F)F
InChIInChI=1S/C23H21F3N4O/c24-23(25,26)22(31)30-13-11-29(12-14-30)20-7-5-17(6-8-20)15-18-3-2-10-28-21(18)19-4-1-9-27-16-19/h1,4-9,11,13,15-16H,2-3,10,12,14H2/b18-15+
InChIKeyWZFCHPGPAFGHBX-OBGWFSINSA-N
XLogP4.43
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone (CID 88961397) is 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone is O=C(N1C=CN(c2ccc(/C=C3\CCCN=C3c3cccnc3)cc2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone?
The InChIKey is WZFCHPGPAFGHBX-OBGWFSINSA-N. The full InChI is InChI=1S/C23H21F3N4O/c24-23(25,26)22(31)30-13-11-29(12-14-30)20-7-5-17(6-8-20)15-18-3-2-10-28-21(18)19-4-1-9-27-16-19/h1,4-9,11,13,15-16H,2-3,10,12,14H2/b18-15+.
What are the key properties of 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone has a molecular weight of 426.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]-2,3-dihydropyrazin-1-yl]ethanone is sourced from PubChem (CID 88961397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).