7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide

C19H13FN4O2S — CID 155559283

IUPAC7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3cncnc3)cc2n1
InChIInChI=1S/C19H13FN4O2S/c20-12-3-1-11(2-4-12)15-6-17(19(21)25)24-16-5-14(27-18(15)16)9-26-13-7-22-10-23-8-13/h1-8,10H,9H2,(H2,21,25)
InChIKeyFSOQPSFUXJHIMH-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.57
Rot. Bonds5

About 7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide

7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 155559283) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide
PubChem CID155559283
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC Name7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3cncnc3)cc2n1
InChIInChI=1S/C19H13FN4O2S/c20-12-3-1-11(2-4-12)15-6-17(19(21)25)24-16-5-14(27-18(15)16)9-26-13-7-22-10-23-8-13/h1-8,10H,9H2,(H2,21,25)
InChIKeyFSOQPSFUXJHIMH-UHFFFAOYSA-N
XLogP3.57
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.57
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-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide (CID 155559283) is 7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3cncnc3)cc2n1.
What is the InChIKey of 7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is FSOQPSFUXJHIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c20-12-3-1-11(2-4-12)15-6-17(19(21)25)24-16-5-14(27-18(15)16)9-26-13-7-22-10-23-8-13/h1-8,10H,9H2,(H2,21,25).
What are the key properties of 7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide?
7-(4-fluorophenyl)-2-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.57, 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-(pyrimidin-5-yloxymethyl)thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 155559283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).