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

C19H14FN7OS — CID 18404028

IUPAC3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yltriazolo[4,5-b]pyridine
SMILESCn1ncnc1COc1nc2c(cc1-c1cccs1)nnn2-c1ccccc1F
InChIInChI=1S/C19H14FN7OS/c1-26-17(21-11-22-26)10-28-19-12(16-7-4-8-29-16)9-14-18(23-19)27(25-24-14)15-6-3-2-5-13(15)20/h2-9,11H,10H2,1H3
InChIKeyGAYPBODLSYNOEV-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-2-yltriazolo[4,5-b]pyridine

3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yltriazolo[4,5-b]pyridine (PubChem CID 18404028) 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-2-yltriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yltriazolo[4,5-b]pyridine
PubChem CID18404028
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-2-yltriazolo[4,5-b]pyridine
SMILESCn1ncnc1COc1nc2c(cc1-c1cccs1)nnn2-c1ccccc1F
InChIInChI=1S/C19H14FN7OS/c1-26-17(21-11-22-26)10-28-19-12(16-7-4-8-29-16)9-14-18(23-19)27(25-24-14)15-6-3-2-5-13(15)20/h2-9,11H,10H2,1H3
InChIKeyGAYPBODLSYNOEV-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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yltriazolo[4,5-b]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yltriazolo[4,5-b]pyridine (CID 18404028) is 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-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-2-yltriazolo[4,5-b]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yltriazolo[4,5-b]pyridine is Cn1ncnc1COc1nc2c(cc1-c1cccs1)nnn2-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yltriazolo[4,5-b]pyridine?
The InChIKey is GAYPBODLSYNOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7OS/c1-26-17(21-11-22-26)10-28-19-12(16-7-4-8-29-16)9-14-18(23-19)27(25-24-14)15-6-3-2-5-13(15)20/h2-9,11H,10H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-yltriazolo[4,5-b]pyridine?
3-(2-fluorophenyl)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-6-thiophen-2-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-2-yltriazolo[4,5-b]pyridine is sourced from PubChem (CID 18404028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).