6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine

C24H20F3N3O2 — CID 171471559

IUPAC6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine
SMILESFC(F)(F)Oc1cccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)32-20-3-1-2-17(12-20)21-15-31-22-13-18(14-29-23(21)22)16-4-6-19(7-5-16)30-10-8-28-9-11-30/h1-7,12-15,28H,8-11H2
InChIKeyGJTDTBPOAMASIH-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.47
Rot. Bonds4

About 6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine

6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine (PubChem CID 171471559) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine
PubChem CID171471559
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine
SMILESFC(F)(F)Oc1cccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)32-20-3-1-2-17(12-20)21-15-31-22-13-18(14-29-23(21)22)16-4-6-19(7-5-16)30-10-8-28-9-11-30/h1-7,12-15,28H,8-11H2
InChIKeyGJTDTBPOAMASIH-UHFFFAOYSA-N
XLogP5.47
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-piperazin-1-ylphenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]furo[3,2-b]pyridine
CID 171471473
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]furo[3,2-b]pyridine
CID 171471479
3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
CID 171471589
tert-butyl 4-[4-[3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 171471468
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methylsulfanylphenyl)furo[3,2-b]pyridine
CID 171471530
3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzaldehyde
CID 171471470
[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine
CID 171471594
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
tert-butyl 4-[4-[3-(3-tert-butylsulfanylphenyl)furo[3,2-b]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 171471580
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile
CID 171512494
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
3-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-5-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 72943766

Frequently Asked Questions

What is the IUPAC name of 6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine?
The IUPAC name of 6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine (CID 171471559) is 6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine.
What is the SMILES notation for 6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine?
The canonical SMILES for 6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine is FC(F)(F)Oc1cccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c1.
What is the InChIKey of 6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine?
The InChIKey is GJTDTBPOAMASIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)32-20-3-1-2-17(12-20)21-15-31-22-13-18(14-29-23(21)22)16-4-6-19(7-5-16)30-10-8-28-9-11-30/h1-7,12-15,28H,8-11H2.
What are the key properties of 6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine?
6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine has a molecular weight of 439.44 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine is sourced from PubChem (CID 171471559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).