2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C26H28F2N4O — CID 15105344

IUPAC2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCCC2
InChIInChI=1S/C26H28F2N4O/c27-22-8-4-19(5-9-22)25(20-6-10-23(28)11-7-20)21-12-15-30(16-13-21)17-18-32-26(33)31-14-2-1-3-24(31)29-32/h4-11H,1-3,12-18H2
InChIKeyYBEPWNPXSLIKRM-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.26
Rot. Bonds5

About 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 15105344) has the molecular formula C26H28F2N4O and a molecular weight of 450.53 g/mol. Its IUPAC name is 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID15105344
Molecular FormulaC26H28F2N4O
Molecular Weight450.53 g/mol
Exact Mass450.22
IUPAC Name2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCCC2
InChIInChI=1S/C26H28F2N4O/c27-22-8-4-19(5-9-22)25(20-6-10-23(28)11-7-20)21-12-15-30(16-13-21)17-18-32-26(33)31-14-2-1-3-24(31)29-32/h4-11H,1-3,12-18H2
InChIKeyYBEPWNPXSLIKRM-UHFFFAOYSA-N
XLogP4.26
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 15105344) is 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2n1CCCC2.
What is the InChIKey of 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YBEPWNPXSLIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O/c27-22-8-4-19(5-9-22)25(20-6-10-23(28)11-7-20)21-12-15-30(16-13-21)17-18-32-26(33)31-14-2-1-3-24(31)29-32/h4-11H,1-3,12-18H2.
What are the key properties of 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 450.53 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 15105344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).