3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C22H17F3N2O2 — CID 67338244

IUPAC3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc(/C=C3/CCCN=C3c3cccnc3)o2)cc1
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)29-18-7-5-15(6-8-18)20-10-9-19(28-20)13-16-3-2-12-27-21(16)17-4-1-11-26-14-17/h1,4-11,13-14H,2-3,12H2/b16-13-
InChIKeyMJKZHUFFEPLQLE-SSZFMOIBSA-N
MW398.38 g/mol
LogP5.91
Rot. Bonds4

About 3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 67338244) has the molecular formula C22H17F3N2O2 and a molecular weight of 398.38 g/mol. Its IUPAC name is 3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID67338244
Molecular FormulaC22H17F3N2O2
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc(/C=C3/CCCN=C3c3cccnc3)o2)cc1
InChIInChI=1S/C22H17F3N2O2/c23-22(24,25)29-18-7-5-15(6-8-18)20-10-9-19(28-20)13-16-3-2-12-27-21(16)17-4-1-11-26-14-17/h1,4-11,13-14H,2-3,12H2/b16-13-
InChIKeyMJKZHUFFEPLQLE-SSZFMOIBSA-N
XLogP5.91
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 67338244) is 3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is FC(F)(F)Oc1ccc(-c2ccc(/C=C3/CCCN=C3c3cccnc3)o2)cc1.
What is the InChIKey of 3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is MJKZHUFFEPLQLE-SSZFMOIBSA-N. The full InChI is InChI=1S/C22H17F3N2O2/c23-22(24,25)29-18-7-5-15(6-8-18)20-10-9-19(28-20)13-16-3-2-12-27-21(16)17-4-1-11-26-14-17/h1,4-11,13-14H,2-3,12H2/b16-13-.
What are the key properties of 3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 398.38 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5Z)-5-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 67338244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).