N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C24H14F4N6O3 — CID 71579393

IUPACN-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C24H14F4N6O3/c25-17-10-14(5-8-18(17)37-22-19-20(30-11-29-19)31-12-32-22)33-21(35)16-2-1-9-34(23(16)36)15-6-3-13(4-7-15)24(26,27)28/h1-12H,(H,33,35)(H,29,30,31,32)
InChIKeySYXAZEFBEOQPCZ-UHFFFAOYSA-N
MW510.41 g/mol
LogP4.71
Rot. Bonds5

About N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 71579393) has the molecular formula C24H14F4N6O3 and a molecular weight of 510.41 g/mol. Its IUPAC name is N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID71579393
Molecular FormulaC24H14F4N6O3
Molecular Weight510.41 g/mol
Exact Mass510.11
IUPAC NameN-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C24H14F4N6O3/c25-17-10-14(5-8-18(17)37-22-19-20(30-11-29-19)31-12-32-22)33-21(35)16-2-1-9-34(23(16)36)15-6-3-13(4-7-15)24(26,27)28/h1-12H,(H,33,35)(H,29,30,31,32)
InChIKeySYXAZEFBEOQPCZ-UHFFFAOYSA-N
XLogP4.71
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.41
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 56657971
1-(3-fluorophenyl)-2-oxo-N-[4-(7H-purin-6-ylamino)phenyl]pyridine-3-carboxamide
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CID 143480769
N-[4-[3-[3-(dimethylamino)prop-1-ynyl]-1-[1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]pyrrolo[2,3-b]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
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1-(4-fluoro-2-methoxyphenyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
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N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 143889995

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 71579393) is N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ncnc3nc[nH]c23)c(F)c1)c1cccn(-c2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is SYXAZEFBEOQPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F4N6O3/c25-17-10-14(5-8-18(17)37-22-19-20(30-11-29-19)31-12-32-22)33-21(35)16-2-1-9-34(23(16)36)15-6-3-13(4-7-15)24(26,27)28/h1-12H,(H,33,35)(H,29,30,31,32).
What are the key properties of N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 510.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(7H-purin-6-yloxy)phenyl]-2-oxo-1-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71579393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).