3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine

C28H24F2N4 — CID 167582834

IUPAC3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine
SMILESCc1cccc(-c2ncc(CCc3nccn4c(-c5cccc(C(F)F)c5)cnc34)cc2C)c1
InChIInChI=1S/C28H24F2N4/c1-18-5-3-7-22(13-18)26-19(2)14-20(16-32-26)9-10-24-28-33-17-25(34(28)12-11-31-24)21-6-4-8-23(15-21)27(29)30/h3-8,11-17,27H,9-10H2,1-2H3
InChIKeyKUPUQVZGTONNIE-UHFFFAOYSA-N
MW454.52 g/mol
LogP6.80
Rot. Bonds6

About 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine

3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine (PubChem CID 167582834) has the molecular formula C28H24F2N4 and a molecular weight of 454.52 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine
PubChem CID167582834
Molecular FormulaC28H24F2N4
Molecular Weight454.52 g/mol
Exact Mass454.20
IUPAC Name3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine
SMILESCc1cccc(-c2ncc(CCc3nccn4c(-c5cccc(C(F)F)c5)cnc34)cc2C)c1
InChIInChI=1S/C28H24F2N4/c1-18-5-3-7-22(13-18)26-19(2)14-20(16-32-26)9-10-24-28-33-17-25(34(28)12-11-31-24)21-6-4-8-23(15-21)27(29)30/h3-8,11-17,27H,9-10H2,1-2H3
InChIKeyKUPUQVZGTONNIE-UHFFFAOYSA-N
XLogP6.80
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine 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 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine (CID 167582834) is 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine is Cc1cccc(-c2ncc(CCc3nccn4c(-c5cccc(C(F)F)c5)cnc34)cc2C)c1.
What is the InChIKey of 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine?
The InChIKey is KUPUQVZGTONNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N4/c1-18-5-3-7-22(13-18)26-19(2)14-20(16-32-26)9-10-24-28-33-17-25(34(28)12-11-31-24)21-6-4-8-23(15-21)27(29)30/h3-8,11-17,27H,9-10H2,1-2H3.
What are the key properties of 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine?
3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine has a molecular weight of 454.52 g/mol, XLogP of 6.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 167582834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).