3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide

C22H18F2N4O — CID 11632560

IUPAC3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1nnc2ccc(CCc3ccc(F)cc3F)cn12
InChIInChI=1S/C22H18F2N4O/c1-13-2-5-16(21(25)29)10-18(13)22-27-26-20-9-4-14(12-28(20)22)3-6-15-7-8-17(23)11-19(15)24/h2,4-5,7-12H,3,6H2,1H3,(H2,25,29)
InChIKeyIECIDZDLEJWPAN-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.87
Rot. Bonds5

About 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide

3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide (PubChem CID 11632560) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide
PubChem CID11632560
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1nnc2ccc(CCc3ccc(F)cc3F)cn12
InChIInChI=1S/C22H18F2N4O/c1-13-2-5-16(21(25)29)10-18(13)22-27-26-20-9-4-14(12-28(20)22)3-6-15-7-8-17(23)11-19(15)24/h2,4-5,7-12H,3,6H2,1H3,(H2,25,29)
InChIKeyIECIDZDLEJWPAN-UHFFFAOYSA-N
XLogP3.87
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide 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 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide?
The IUPAC name of 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide (CID 11632560) is 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide.
What is the SMILES notation for 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide?
The canonical SMILES for 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1-c1nnc2ccc(CCc3ccc(F)cc3F)cn12.
What is the InChIKey of 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide?
The InChIKey is IECIDZDLEJWPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-13-2-5-16(21(25)29)10-18(13)22-27-26-20-9-4-14(12-28(20)22)3-6-15-7-8-17(23)11-19(15)24/h2,4-5,7-12H,3,6H2,1H3,(H2,25,29).
What are the key properties of 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide?
3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide has a molecular weight of 392.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(2,4-difluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 11632560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).