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

C23H14F2N6O3 — CID 71579391

IUPAC1-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C23H14F2N6O3/c24-13-3-1-4-15(9-13)31-8-2-5-16(23(31)33)21(32)30-14-6-7-18(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)
InChIKeyXQLXHIGCGPBKTR-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.83
Rot. Bonds5

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

1-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 71579391) has the molecular formula C23H14F2N6O3 and a molecular weight of 460.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide
PubChem CID71579391
Molecular FormulaC23H14F2N6O3
Molecular Weight460.40 g/mol
Exact Mass460.11
IUPAC Name1-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C23H14F2N6O3/c24-13-3-1-4-15(9-13)31-8-2-5-16(23(31)33)21(32)30-14-6-7-18(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)
InChIKeyXQLXHIGCGPBKTR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 21081761
O6-Cyclohexylmethylguanine deriv. 26
CID 5329560
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 21081760
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(3-methylbutyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 21081766
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
CID 21081770
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1-(pyridin-2-yl)-1,2-dihydropyridine-3-carboxamide
CID 21081771
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1-(pyridin-3-yl)-1,2-dihydropyridine-3-carboxamide
CID 21081772
N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)-3-fluorophenyl]-6-methyl-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide hydrochloride
CID 66968886
N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)-3-fluorophenyl]-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
CID 66968949
1-tert-butyl-N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 24901679
1-cyclopropyl-N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 24901680
N-[3-[2-[4-(3-morpholin-4-ylpropoxy)anilino]purin-9-yl]phenyl]prop-2-enamide
CID 134137307

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide (CID 71579391) is 1-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(3-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(-c2cccc(F)c2)c1=O.
What is the InChIKey of 1-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is XQLXHIGCGPBKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N6O3/c24-13-3-1-4-15(9-13)31-8-2-5-16(23(31)33)21(32)30-14-6-7-18(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-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide?
1-(3-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-(3-fluorophenyl)-N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71579391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).