4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid

C19H17N5O3S — CID 68618754

IUPAC4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2cn(C)nn2)cc1OCc1csc2c(C(=O)O)cnc(N)c12
InChIInChI=1S/C19H17N5O3S/c1-10-3-4-11(14-7-24(2)23-22-14)5-15(10)27-8-12-9-28-17-13(19(25)26)6-21-18(20)16(12)17/h3-7,9H,8H2,1-2H3,(H2,20,21)(H,25,26)
InChIKeyRNQAFPSIZVFNKV-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.26
Rot. Bonds5

About 4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid

4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid (PubChem CID 68618754) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
PubChem CID68618754
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2cn(C)nn2)cc1OCc1csc2c(C(=O)O)cnc(N)c12
InChIInChI=1S/C19H17N5O3S/c1-10-3-4-11(14-7-24(2)23-22-14)5-15(10)27-8-12-9-28-17-13(19(25)26)6-21-18(20)16(12)17/h3-7,9H,8H2,1-2H3,(H2,20,21)(H,25,26)
InChIKeyRNQAFPSIZVFNKV-UHFFFAOYSA-N
XLogP3.26
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
The IUPAC name of 4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid (CID 68618754) is 4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
The canonical SMILES for 4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid is Cc1ccc(-c2cn(C)nn2)cc1OCc1csc2c(C(=O)O)cnc(N)c12.
What is the InChIKey of 4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
The InChIKey is RNQAFPSIZVFNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-10-3-4-11(14-7-24(2)23-22-14)5-15(10)27-8-12-9-28-17-13(19(25)26)6-21-18(20)16(12)17/h3-7,9H,8H2,1-2H3,(H2,20,21)(H,25,26).
What are the key properties of 4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid has a molecular weight of 395.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[2-methyl-5-(1-methyltriazol-4-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 68618754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).