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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Related Compounds

N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide
CID 59823034
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CID 155177372
N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
CID 23153391
N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide
CID 89003451
N-[4-[2-fluoro-4-[[4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 71488984
N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 164626343
3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide
CID 175548235
2-(3-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 162660316
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 66968949
5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
CID 21081774
N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 24849198
3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 169302849

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).