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

C24H17ClN4O4S — CID 24810288

IUPAC4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1OCc1csc2c(C(=O)O)cnc(N)c12
InChIInChI=1S/C24H17ClN4O4S/c1-12-2-3-14(23-29-28-22(33-23)13-4-6-16(25)7-5-13)8-18(12)32-10-15-11-34-20-17(24(30)31)9-27-21(26)19(15)20/h2-9,11H,10H2,1H3,(H2,26,27)(H,30,31)
InChIKeyIEIMXXWIKSUKGW-UHFFFAOYSA-N
MW492.94 g/mol
LogP5.83
Rot. Bonds6

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

4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid (PubChem CID 24810288) has the molecular formula C24H17ClN4O4S and a molecular weight of 492.94 g/mol. Its IUPAC name is 4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
PubChem CID24810288
Molecular FormulaC24H17ClN4O4S
Molecular Weight492.94 g/mol
Exact Mass492.07
IUPAC Name4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
SMILESCc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1OCc1csc2c(C(=O)O)cnc(N)c12
InChIInChI=1S/C24H17ClN4O4S/c1-12-2-3-14(23-29-28-22(33-23)13-4-6-16(25)7-5-13)8-18(12)32-10-15-11-34-20-17(24(30)31)9-27-21(26)19(15)20/h2-9,11H,10H2,1H3,(H2,26,27)(H,30,31)
InChIKeyIEIMXXWIKSUKGW-UHFFFAOYSA-N
XLogP5.83
TPSA124.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.94
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
The IUPAC name of 4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid (CID 24810288) is 4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
The canonical SMILES for 4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid is Cc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1OCc1csc2c(C(=O)O)cnc(N)c12.
What is the InChIKey of 4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
The InChIKey is IEIMXXWIKSUKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O4S/c1-12-2-3-14(23-29-28-22(33-23)13-4-6-16(25)7-5-13)8-18(12)32-10-15-11-34-20-17(24(30)31)9-27-21(26)19(15)20/h2-9,11H,10H2,1H3,(H2,26,27)(H,30,31).
What are the key properties of 4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid?
4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid has a molecular weight of 492.94 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 24810288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).