1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide

C23H14F2N6O3 — CID 71579392

IUPAC1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C23H14F2N6O3/c24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
InChIKeyDNINGYYWXPRQDJ-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.83
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 71579392) has the molecular formula C23H14F2N6O3 and a molecular weight of 460.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID71579392
Molecular FormulaC23H14F2N6O3
Molecular Weight460.40 g/mol
Exact Mass460.11
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C23H14F2N6O3/c24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
InChIKeyDNINGYYWXPRQDJ-UHFFFAOYSA-N
XLogP3.83
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide (CID 71579392) is 1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DNINGYYWXPRQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N6O3/c24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29).
What are the key properties of 1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 460.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71579392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).