7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide

C21H16FN3O2S — CID 155564600

IUPAC7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESCc1ncccc1OCc1cc2nc(C(N)=O)cc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C21H16FN3O2S/c1-12-19(3-2-8-24-12)27-11-15-9-17-20(28-15)16(10-18(25-17)21(23)26)13-4-6-14(22)7-5-13/h2-10H,11H2,1H3,(H2,23,26)
InChIKeyXFGLQGCIKTVKOK-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.48
Rot. Bonds5

About 7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide

7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 155564600) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
PubChem CID155564600
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESCc1ncccc1OCc1cc2nc(C(N)=O)cc(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C21H16FN3O2S/c1-12-19(3-2-8-24-12)27-11-15-9-17-20(28-15)16(10-18(25-17)21(23)26)13-4-6-14(22)7-5-13/h2-10H,11H2,1H3,(H2,23,26)
InChIKeyXFGLQGCIKTVKOK-UHFFFAOYSA-N
XLogP4.48
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (CID 155564600) is 7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is Cc1ncccc1OCc1cc2nc(C(N)=O)cc(-c3ccc(F)cc3)c2s1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is XFGLQGCIKTVKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c1-12-19(3-2-8-24-12)27-11-15-9-17-20(28-15)16(10-18(25-17)21(23)26)13-4-6-14(22)7-5-13/h2-10H,11H2,1H3,(H2,23,26).
What are the key properties of 7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 155564600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).