2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine

C16H12N8S — CID 54759346

IUPAC2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
SMILESCn1cc(-c2cnc3nnn(Cc4cc5cccnc5s4)c3n2)cn1
InChIInChI=1S/C16H12N8S/c1-23-8-11(6-19-23)13-7-18-14-15(20-13)24(22-21-14)9-12-5-10-3-2-4-17-16(10)25-12/h2-8H,9H2,1H3
InChIKeyHBBALKBTOWSTGZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.28
Rot. Bonds3

About 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine

2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine (PubChem CID 54759346) has the molecular formula C16H12N8S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
PubChem CID54759346
Molecular FormulaC16H12N8S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
SMILESCn1cc(-c2cnc3nnn(Cc4cc5cccnc5s4)c3n2)cn1
InChIInChI=1S/C16H12N8S/c1-23-8-11(6-19-23)13-7-18-14-15(20-13)24(22-21-14)9-12-5-10-3-2-4-17-16(10)25-12/h2-8H,9H2,1H3
InChIKeyHBBALKBTOWSTGZ-UHFFFAOYSA-N
XLogP2.28
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]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

Sgx-523
CID 24779724
Savolitinib
CID 68289010
TH1020
CID 124203921
4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
2-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1,3-thiazole
CID 91245989
2-[(1-Methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44549080
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?
The IUPAC name of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine (CID 54759346) is 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine.
What is the SMILES notation for 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?
The canonical SMILES for 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine is Cn1cc(-c2cnc3nnn(Cc4cc5cccnc5s4)c3n2)cn1.
What is the InChIKey of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?
The InChIKey is HBBALKBTOWSTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8S/c1-23-8-11(6-19-23)13-7-18-14-15(20-13)24(22-21-14)9-12-5-10-3-2-4-17-16(10)25-12/h2-8H,9H2,1H3.
What are the key properties of 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?
2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine has a molecular weight of 348.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine is sourced from PubChem (CID 54759346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).