3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

C22H17F4N3O — CID 142401436

IUPAC3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc(O)cc1F
InChIInChI=1S/C22H17F4N3O/c1-12(2)20-21(16-7-6-15(30)9-17(16)23)29-11-18(27-10-19(29)28-20)13-4-3-5-14(8-13)22(24,25)26/h3-12,30H,1-2H3
InChIKeyKJSDZYVWQNTXRR-UHFFFAOYSA-N
MW415.39 g/mol
LogP6.05
Rot. Bonds3

About 3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 142401436) has the molecular formula C22H17F4N3O and a molecular weight of 415.39 g/mol. Its IUPAC name is 3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID142401436
Molecular FormulaC22H17F4N3O
Molecular Weight415.39 g/mol
Exact Mass415.13
IUPAC Name3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc(O)cc1F
InChIInChI=1S/C22H17F4N3O/c1-12(2)20-21(16-7-6-15(30)9-17(16)23)29-11-18(27-10-19(29)28-20)13-4-3-5-14(8-13)22(24,25)26/h3-12,30H,1-2H3
InChIKeyKJSDZYVWQNTXRR-UHFFFAOYSA-N
XLogP6.05
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.39
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol 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-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 142401436) is 3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is CC(C)c1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is KJSDZYVWQNTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O/c1-12(2)20-21(16-7-6-15(30)9-17(16)23)29-11-18(27-10-19(29)28-20)13-4-3-5-14(8-13)22(24,25)26/h3-12,30H,1-2H3.
What are the key properties of 3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 415.39 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 142401436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).