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

C20H15FN4O2S — CID 155554668

IUPAC7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESCc1ncc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)cn1
InChIInChI=1S/C20H15FN4O2S/c1-11-23-8-14(9-24-11)27-10-15-6-17-19(28-15)16(7-18(25-17)20(22)26)12-2-4-13(21)5-3-12/h2-9H,10H2,1H3,(H2,22,26)
InChIKeyHMTUWDMGNWHLSV-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.88
Rot. Bonds5

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

7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 155554668) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
PubChem CID155554668
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESCc1ncc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)cn1
InChIInChI=1S/C20H15FN4O2S/c1-11-23-8-14(9-24-11)27-10-15-6-17-19(28-15)16(7-18(25-17)20(22)26)12-2-4-13(21)5-3-12/h2-9H,10H2,1H3,(H2,22,26)
InChIKeyHMTUWDMGNWHLSV-UHFFFAOYSA-N
XLogP3.88
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.88
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-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (CID 155554668) is 7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is Cc1ncc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)cn1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is HMTUWDMGNWHLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-11-23-8-14(9-24-11)27-10-15-6-17-19(28-15)16(7-18(25-17)20(22)26)12-2-4-13(21)5-3-12/h2-9H,10H2,1H3,(H2,22,26).
What are the key properties of 7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[(2-methylpyrimidin-5-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 155554668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).