N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide

C26H17F2N3O3S — CID 71493897

IUPACN-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(=O)n(-c2ccc(Oc3ccnc4ccsc34)c(F)c2)c1
InChIInChI=1S/C26H17F2N3O3S/c27-18-4-1-16(2-5-18)14-30-26(33)17-3-8-24(32)31(15-17)19-6-7-22(20(28)13-19)34-23-9-11-29-21-10-12-35-25(21)23/h1-13,15H,14H2,(H,30,33)
InChIKeyAYFQXTXFKRUYRR-UHFFFAOYSA-N
MW489.50 g/mol
LogP5.45
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 71493897) has the molecular formula C26H17F2N3O3S and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide
PubChem CID71493897
Molecular FormulaC26H17F2N3O3S
Molecular Weight489.50 g/mol
Exact Mass489.10
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(=O)n(-c2ccc(Oc3ccnc4ccsc34)c(F)c2)c1
InChIInChI=1S/C26H17F2N3O3S/c27-18-4-1-16(2-5-18)14-30-26(33)17-3-8-24(32)31(15-17)19-6-7-22(20(28)13-19)34-23-9-11-29-21-10-12-35-25(21)23/h1-13,15H,14H2,(H,30,33)
InChIKeyAYFQXTXFKRUYRR-UHFFFAOYSA-N
XLogP5.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.50
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide (CID 71493897) is N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(=O)n(-c2ccc(Oc3ccnc4ccsc34)c(F)c2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is AYFQXTXFKRUYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N3O3S/c27-18-4-1-16(2-5-18)14-30-26(33)17-3-8-24(32)31(15-17)19-6-7-22(20(28)13-19)34-23-9-11-29-21-10-12-35-25(21)23/h1-13,15H,14H2,(H,30,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 71493897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).