6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C25H17N7S — CID 34316863

IUPAC6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESC(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1nn2c(-c3cccnc3)nnc2s1
InChIInChI=1S/C25H17N7S/c1-3-8-18(9-4-1)23-20(17-31(30-23)21-11-5-2-6-12-21)13-14-22-29-32-24(27-28-25(32)33-22)19-10-7-15-26-16-19/h1-17H/b14-13+
InChIKeyUTOXGZQMRCGZFM-BUHFOSPRSA-N
MW447.53 g/mol
LogP5.27
Rot. Bonds5

About 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 34316863) has the molecular formula C25H17N7S and a molecular weight of 447.53 g/mol. Its IUPAC name is 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID34316863
Molecular FormulaC25H17N7S
Molecular Weight447.53 g/mol
Exact Mass447.13
IUPAC Name6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESC(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1nn2c(-c3cccnc3)nnc2s1
InChIInChI=1S/C25H17N7S/c1-3-8-18(9-4-1)23-20(17-31(30-23)21-11-5-2-6-12-21)13-14-22-29-32-24(27-28-25(32)33-22)19-10-7-15-26-16-19/h1-17H/b14-13+
InChIKeyUTOXGZQMRCGZFM-BUHFOSPRSA-N
XLogP5.27
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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

6-[2-(2-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;hydrochloride
CID 171151734
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854158
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 5337368
1-(4-phenylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 2876111
(E)-N-tert-butyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 78777734
6-[(Z)-2-phenylethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 92858141
3-(1-methylpyrazol-4-yl)-6-(2-pyridin-3-ylethenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71829722
(E)-1-(3-hydroxyphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 9448234
2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole
CID 3250858
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-pyridin-3-ylprop-2-enamide
CID 26592504
(E)-1-(4-methylphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-en-1-one
CID 18228455

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 34316863) is 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1nn2c(-c3cccnc3)nnc2s1.
What is the InChIKey of 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is UTOXGZQMRCGZFM-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H17N7S/c1-3-8-18(9-4-1)23-20(17-31(30-23)21-11-5-2-6-12-21)13-14-22-29-32-24(27-28-25(32)33-22)19-10-7-15-26-16-19/h1-17H/b14-13+.
What are the key properties of 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 447.53 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 34316863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).