2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine

C24H28F2N8 — CID 54366161

IUPAC2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
SMILESCCCC(F)(F)C(CC)CCc1ncn(Cc2ccc(-c3ncccc3-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C24H28F2N8/c1-3-13-24(25,26)19(4-2)11-12-21-28-16-34(31-21)15-17-7-9-18(10-8-17)22-20(6-5-14-27-22)23-29-32-33-30-23/h5-10,14,16,19H,3-4,11-13,15H2,1-2H3,(H,29,30,32,33)
InChIKeyUPXRVJAETCMLHH-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.96
Rot. Bonds11

About 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine

2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine (PubChem CID 54366161) has the molecular formula C24H28F2N8 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
PubChem CID54366161
Molecular FormulaC24H28F2N8
Molecular Weight466.54 g/mol
Exact Mass466.24
IUPAC Name2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
SMILESCCCC(F)(F)C(CC)CCc1ncn(Cc2ccc(-c3ncccc3-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C24H28F2N8/c1-3-13-24(25,26)19(4-2)11-12-21-28-16-34(31-21)15-17-7-9-18(10-8-17)22-20(6-5-14-27-22)23-29-32-33-30-23/h5-10,14,16,19H,3-4,11-13,15H2,1-2H3,(H,29,30,32,33)
InChIKeyUPXRVJAETCMLHH-UHFFFAOYSA-N
XLogP4.96
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine with MolForge

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

Launch Full Analysis

Related Compounds

Forasartan
CID 132706
Pyrazole 79
CID 23647348
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204
US10399985, Example 17
CID 118278237
Imidazo triazine derivative 1
CID 68182028
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methyl-1,2,4-triazol-3-yl)indole
CID 71508712
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 168269448
2-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-5-[2-(1H-tetrazol-5-yl)-phenyl]-pyridine
CID 9888159
5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrol-2-yl]-2H-tetrazole
CID 10408951
5-[1-[4-[(3,5-Dibutyl-1H-1,2,4-triazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1H-pyrrol-2-yl]-1H-tetrazole
CID 10457516
3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine
CID 15187686

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine (CID 54366161) is 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine is CCCC(F)(F)C(CC)CCc1ncn(Cc2ccc(-c3ncccc3-c3nn[nH]n3)cc2)n1.
What is the InChIKey of 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is UPXRVJAETCMLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N8/c1-3-13-24(25,26)19(4-2)11-12-21-28-16-34(31-21)15-17-7-9-18(10-8-17)22-20(6-5-14-27-22)23-29-32-33-30-23/h5-10,14,16,19H,3-4,11-13,15H2,1-2H3,(H,29,30,32,33).
What are the key properties of 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine has a molecular weight of 466.54 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(3-ethyl-4,4-difluoroheptyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 54366161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).