7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide

C21H16FN3O3S — CID 155523578

IUPAC7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)cn1
InChIInChI=1S/C21H16FN3O3S/c1-27-19-7-6-14(10-24-19)28-11-15-8-17-20(29-15)16(9-18(25-17)21(23)26)12-2-4-13(22)5-3-12/h2-10H,11H2,1H3,(H2,23,26)
InChIKeyRYPRRNIAFYNHGP-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.18
Rot. Bonds6

About 7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide

7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 155523578) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
PubChem CID155523578
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESCOc1ccc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)cn1
InChIInChI=1S/C21H16FN3O3S/c1-27-19-7-6-14(10-24-19)28-11-15-8-17-20(29-15)16(9-18(25-17)21(23)26)12-2-4-13(22)5-3-12/h2-10H,11H2,1H3,(H2,23,26)
InChIKeyRYPRRNIAFYNHGP-UHFFFAOYSA-N
XLogP4.18
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (CID 155523578) is 7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is COc1ccc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)cn1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is RYPRRNIAFYNHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-27-19-7-6-14(10-24-19)28-11-15-8-17-20(29-15)16(9-18(25-17)21(23)26)12-2-4-13(22)5-3-12/h2-10H,11H2,1H3,(H2,23,26).
What are the key properties of 7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[(6-methoxy-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 155523578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).