N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide

C32H26FN7O4 — CID 58268724

IUPACN-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1)c1cc(-c2cnccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C32H26FN7O4/c33-26-17-22(8-9-28(26)44-24-10-11-36-29(18-24)38-32(43)39-14-4-5-15-39)37-30(41)25-16-21(27-19-34-12-13-35-27)20-40(31(25)42)23-6-2-1-3-7-23/h1-3,6-13,16-20H,4-5,14-15H2,(H,37,41)(H,36,38,43)
InChIKeyJZCSOXSMQRBCJF-UHFFFAOYSA-N
MW591.60 g/mol
LogP5.50
Rot. Bonds7

About N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide

N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide (PubChem CID 58268724) has the molecular formula C32H26FN7O4 and a molecular weight of 591.60 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide
PubChem CID58268724
Molecular FormulaC32H26FN7O4
Molecular Weight591.60 g/mol
Exact Mass591.20
IUPAC NameN-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1)c1cc(-c2cnccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C32H26FN7O4/c33-26-17-22(8-9-28(26)44-24-10-11-36-29(18-24)38-32(43)39-14-4-5-15-39)37-30(41)25-16-21(27-19-34-12-13-35-27)20-40(31(25)42)23-6-2-1-3-7-23/h1-3,6-13,16-20H,4-5,14-15H2,(H,37,41)(H,36,38,43)
InChIKeyJZCSOXSMQRBCJF-UHFFFAOYSA-N
XLogP5.50
TPSA131.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.60
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide (CID 58268724) is N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1)c1cc(-c2cnccn2)cn(-c2ccccc2)c1=O.
What is the InChIKey of N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide?
The InChIKey is JZCSOXSMQRBCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN7O4/c33-26-17-22(8-9-28(26)44-24-10-11-36-29(18-24)38-32(43)39-14-4-5-15-39)37-30(41)25-16-21(27-19-34-12-13-35-27)20-40(31(25)42)23-6-2-1-3-7-23/h1-3,6-13,16-20H,4-5,14-15H2,(H,37,41)(H,36,38,43).
What are the key properties of N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide?
N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide has a molecular weight of 591.60 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 58268724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).