3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine

C19H14FN7OS — CID 18404021

IUPAC3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine
SMILESCn1ncnc1COc1nc2c(cc1-c1ccsc1)nnn2-c1ccccc1F
InChIInChI=1S/C19H14FN7OS/c1-26-17(21-11-22-26)9-28-19-13(12-6-7-29-10-12)8-15-18(23-19)27(25-24-15)16-5-3-2-4-14(16)20/h2-8,10-11H,9H2,1H3
InChIKeyCQNDKOGMEXXSPT-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.39
Rot. Bonds5

About 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine

3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine (PubChem CID 18404021) has the molecular formula C19H14FN7OS and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine
PubChem CID18404021
Molecular FormulaC19H14FN7OS
Molecular Weight407.43 g/mol
Exact Mass407.10
IUPAC Name3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine
SMILESCn1ncnc1COc1nc2c(cc1-c1ccsc1)nnn2-c1ccccc1F
InChIInChI=1S/C19H14FN7OS/c1-26-17(21-11-22-26)9-28-19-13(12-6-7-29-10-12)8-15-18(23-19)27(25-24-15)16-5-3-2-4-14(16)20/h2-8,10-11H,9H2,1H3
InChIKeyCQNDKOGMEXXSPT-UHFFFAOYSA-N
XLogP3.39
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine (CID 18404021) is 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine is Cn1ncnc1COc1nc2c(cc1-c1ccsc1)nnn2-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine?
The InChIKey is CQNDKOGMEXXSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7OS/c1-26-17(21-11-22-26)9-28-19-13(12-6-7-29-10-12)8-15-18(23-19)27(25-24-15)16-5-3-2-4-14(16)20/h2-8,10-11H,9H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine?
3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine has a molecular weight of 407.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-3-yltriazolo[4,5-b]pyridine is sourced from PubChem (CID 18404021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).