3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

C17H12ClN2O2S- — CID 6936271

IUPAC3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
SMILESNc1c(C(=O)[O-])sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C17H13ClN2O2S/c18-10-5-3-8(4-6-10)11-7-12(9-1-2-9)20-16-13(11)14(19)15(23-16)17(21)22/h3-7,9H,1-2,19H2,(H,21,22)/p-1
InChIKeyHGXZBFMGOXOOFP-UHFFFAOYSA-M
MW343.82 g/mol
LogP3.44
Rot. Bonds3

About 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 6936271) has the molecular formula C17H12ClN2O2S- and a molecular weight of 343.82 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID6936271
Molecular FormulaC17H12ClN2O2S-
Molecular Weight343.82 g/mol
Exact Mass343.03
IUPAC Name3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
SMILESNc1c(C(=O)[O-])sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C17H13ClN2O2S/c18-10-5-3-8(4-6-10)11-7-12(9-1-2-9)20-16-13(11)14(19)15(23-16)17(21)22/h3-7,9H,1-2,19H2,(H,21,22)/p-1
InChIKeyHGXZBFMGOXOOFP-UHFFFAOYSA-M
XLogP3.44
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_D(2)', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-cyclopropyl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 741687
3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carbohydrazide
CID 10640367
3-amino-4,6-bis(4-chlorophenyl)-N-(3,4-dichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132355
3-amino-4-(4-chlorophenyl)-6-(furan-2-yl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 14510431
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-N-(3-chlorophenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132344
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451
[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
CID 144756244
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 3648617
[3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 10864030

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate (CID 6936271) is 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate is Nc1c(C(=O)[O-])sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is HGXZBFMGOXOOFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13ClN2O2S/c18-10-5-3-8(4-6-10)11-7-12(9-1-2-9)20-16-13(11)14(19)15(23-16)17(21)22/h3-7,9H,1-2,19H2,(H,21,22)/p-1.
What are the key properties of 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate?
3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 343.82 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chlorophenyl)-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 6936271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).