4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine

C21H13F3N4O2 — CID 130442480

IUPAC4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
SMILESCc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F
InChIInChI=1S/C21H13F3N4O2/c1-12-19(28-8-7-25-18(28)11-27-12)14-3-2-13(10-16(14)21(22,23)24)30-20-15-5-9-29-17(15)4-6-26-20/h2-11H,1H3
InChIKeyGEPUWJGKAOGNRH-UHFFFAOYSA-N
MW410.36 g/mol
LogP5.66
Rot. Bonds3

About 4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine

4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine (PubChem CID 130442480) has the molecular formula C21H13F3N4O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
PubChem CID130442480
Molecular FormulaC21H13F3N4O2
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC Name4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
SMILESCc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F
InChIInChI=1S/C21H13F3N4O2/c1-12-19(28-8-7-25-18(28)11-27-12)14-3-2-13(10-16(14)21(22,23)24)30-20-15-5-9-29-17(15)4-6-26-20/h2-11H,1H3
InChIKeyGEPUWJGKAOGNRH-UHFFFAOYSA-N
XLogP5.66
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine (CID 130442480) is 4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine is Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F.
What is the InChIKey of 4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
The InChIKey is GEPUWJGKAOGNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2/c1-12-19(28-8-7-25-18(28)11-27-12)14-3-2-13(10-16(14)21(22,23)24)30-20-15-5-9-29-17(15)4-6-26-20/h2-11H,1H3.
What are the key properties of 4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine has a molecular weight of 410.36 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methylimidazo[1,2-a]pyrazin-5-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 130442480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).