ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate

C19H17FN2O2S — CID 1380392

IUPACethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C19H17FN2O2S/c1-2-24-19(23)17-16(21)15-13(10-5-7-12(20)8-6-10)9-14(11-3-4-11)22-18(15)25-17/h5-9,11H,2-4,21H2,1H3
InChIKeyKVLQRCMCEFOEHG-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.74
Rot. Bonds4

About ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1380392) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID1380392
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Nameethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(F)cc3)c2c1N
InChIInChI=1S/C19H17FN2O2S/c1-2-24-19(23)17-16(21)15-13(10-5-7-12(20)8-6-10)9-14(11-3-4-11)22-18(15)25-17/h5-9,11H,2-4,21H2,1H3
InChIKeyKVLQRCMCEFOEHG-UHFFFAOYSA-N
XLogP4.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate (CID 1380392) is ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(F)cc3)c2c1N.
What is the InChIKey of ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is KVLQRCMCEFOEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-2-24-19(23)17-16(21)15-13(10-5-7-12(20)8-6-10)9-14(11-3-4-11)22-18(15)25-17/h5-9,11H,2-4,21H2,1H3.
What are the key properties of ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-cyclopropyl-4-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1380392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).