methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate

C19H15F3N2O3S — CID 163367117

IUPACmethyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2c(-c3cc(F)cc(F)c3F)ccnc2c1N1CCOCC1
InChIInChI=1S/C19H15F3N2O3S/c1-26-19(25)18-16(24-4-6-27-7-5-24)15-17(28-18)11(2-3-23-15)12-8-10(20)9-13(21)14(12)22/h2-3,8-9H,4-7H2,1H3
InChIKeyMFPWXOXNDMCZAH-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.00
Rot. Bonds3

About methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 163367117) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID163367117
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Namemethyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2c(-c3cc(F)cc(F)c3F)ccnc2c1N1CCOCC1
InChIInChI=1S/C19H15F3N2O3S/c1-26-19(25)18-16(24-4-6-27-7-5-24)15-17(28-18)11(2-3-23-15)12-8-10(20)9-13(21)14(12)22/h2-3,8-9H,4-7H2,1H3
InChIKeyMFPWXOXNDMCZAH-UHFFFAOYSA-N
XLogP4.00
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate with MolForge

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Related Compounds

Methyl 3-(3-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 5238869
2-[(3-Aminophenyl)-(2-piperidin-1-ylethoxy)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
CID 145985174
Methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate
CID 50908356
Methyl 3-amino-6-[2-(4-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994347
Methyl 3-amino-6-[2-(3-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 51031930
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-(1,3-thiazol-5-yl)indole-3-carboxylate
CID 118436251
Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate
CID 13793447
Methyl 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 1480204
Methyl 3-(2-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 1486478
Methyl 3-amino-6-(2-aminophenyl)thieno[3,2-b]pyridine-2-carboxylate
CID 50905128
Methyl 3-amino-6-isoquinolin-4-ylthieno[3,2-b]pyridine-2-carboxylate
CID 50908357
Methyl 3-amino-6-[2-(2-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994346

Frequently Asked Questions

What is the IUPAC name of methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate (CID 163367117) is methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2c(-c3cc(F)cc(F)c3F)ccnc2c1N1CCOCC1.
What is the InChIKey of methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is MFPWXOXNDMCZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-26-19(25)18-16(24-4-6-27-7-5-24)15-17(28-18)11(2-3-23-15)12-8-10(20)9-13(21)14(12)22/h2-3,8-9H,4-7H2,1H3.
What are the key properties of methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 408.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-morpholin-4-yl-7-(2,3,5-trifluorophenyl)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 163367117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).