7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide

C19H15FN4O2S — CID 155566841

IUPAC7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESCn1ccc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)n1
InChIInChI=1S/C19H15FN4O2S/c1-24-7-6-17(23-24)26-10-13-8-15-18(27-13)14(9-16(22-15)19(21)25)11-2-4-12(20)5-3-11/h2-9H,10H2,1H3,(H2,21,25)
InChIKeyYMYWHRSOQLNKTN-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.51
Rot. Bonds5

About 7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide

7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 155566841) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
PubChem CID155566841
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESCn1ccc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)n1
InChIInChI=1S/C19H15FN4O2S/c1-24-7-6-17(23-24)26-10-13-8-15-18(27-13)14(9-16(22-15)19(21)25)11-2-4-12(20)5-3-11/h2-9H,10H2,1H3,(H2,21,25)
InChIKeyYMYWHRSOQLNKTN-UHFFFAOYSA-N
XLogP3.51
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.51
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-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (CID 155566841) is 7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is Cn1ccc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)n1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is YMYWHRSOQLNKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-24-7-6-17(23-24)26-10-13-8-15-18(27-13)14(9-16(22-15)19(21)25)11-2-4-12(20)5-3-11/h2-9H,10H2,1H3,(H2,21,25).
What are the key properties of 7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
7-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.51, 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-[(1-methylpyrazol-3-yl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 155566841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).