6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline

C22H14F3N5 — CID 86566672

IUPAC6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESFC(F)(F)c1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1
InChIInChI=1S/C22H14F3N5/c23-22(24,25)17-6-4-15(5-7-17)19-11-27-20-21(29-19)30(13-28-20)12-14-3-8-18-16(10-14)2-1-9-26-18/h1-11,13H,12H2
InChIKeyTYYYYDCCDUCSIO-UHFFFAOYSA-N
MW405.38 g/mol
LogP5.11
Rot. Bonds3

About 6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline

6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 86566672) has the molecular formula C22H14F3N5 and a molecular weight of 405.38 g/mol. Its IUPAC name is 6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID86566672
Molecular FormulaC22H14F3N5
Molecular Weight405.38 g/mol
Exact Mass405.12
IUPAC Name6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESFC(F)(F)c1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1
InChIInChI=1S/C22H14F3N5/c23-22(24,25)17-6-4-15(5-7-17)19-11-27-20-21(29-19)30(13-28-20)12-14-3-8-18-16(10-14)2-1-9-26-18/h1-11,13H,12H2
InChIKeyTYYYYDCCDUCSIO-UHFFFAOYSA-N
XLogP5.11
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 86566672) is 6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline is FC(F)(F)c1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1.
What is the InChIKey of 6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is TYYYYDCCDUCSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5/c23-22(24,25)17-6-4-15(5-7-17)19-11-27-20-21(29-19)30(13-28-20)12-14-3-8-18-16(10-14)2-1-9-26-18/h1-11,13H,12H2.
What are the key properties of 6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 405.38 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 86566672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).