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

C22H14F3N5O — CID 86566674

IUPAC6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESFC(F)(F)Oc1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1
InChIInChI=1S/C22H14F3N5O/c23-22(24,25)31-17-6-4-15(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
InChIKeySFTJCCFZUCSLST-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.99
Rot. Bonds4

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

6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 86566674) has the molecular formula C22H14F3N5O and a molecular weight of 421.38 g/mol. Its IUPAC name is 6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID86566674
Molecular FormulaC22H14F3N5O
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESFC(F)(F)Oc1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1
InChIInChI=1S/C22H14F3N5O/c23-22(24,25)31-17-6-4-15(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
InChIKeySFTJCCFZUCSLST-UHFFFAOYSA-N
XLogP4.99
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 86566674) is 6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline is FC(F)(F)Oc1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1.
What is the InChIKey of 6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is SFTJCCFZUCSLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O/c23-22(24,25)31-17-6-4-15(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-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 421.38 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 86566674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).