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

C26H25FN6O4 — CID 24771822

IUPACN-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESO=C(Nc1cc(Oc2ccc(NC(=O)N3CCN(c4ccccc4)C3=O)cc2F)ccn1)N1CCCC1
InChIInChI=1S/C26H25FN6O4/c27-21-16-18(29-25(35)33-15-14-32(26(33)36)19-6-2-1-3-7-19)8-9-22(21)37-20-10-11-28-23(17-20)30-24(34)31-12-4-5-13-31/h1-3,6-11,16-17H,4-5,12-15H2,(H,29,35)(H,28,30,34)
InChIKeyULVGGJBGIFBVCO-UHFFFAOYSA-N
MW504.52 g/mol
LogP5.11
Rot. Bonds5

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

N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 24771822) has the molecular formula C26H25FN6O4 and a molecular weight of 504.52 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID24771822
Molecular FormulaC26H25FN6O4
Molecular Weight504.52 g/mol
Exact Mass504.19
IUPAC NameN-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESO=C(Nc1cc(Oc2ccc(NC(=O)N3CCN(c4ccccc4)C3=O)cc2F)ccn1)N1CCCC1
InChIInChI=1S/C26H25FN6O4/c27-21-16-18(29-25(35)33-15-14-32(26(33)36)19-6-2-1-3-7-19)8-9-22(21)37-20-10-11-28-23(17-20)30-24(34)31-12-4-5-13-31/h1-3,6-11,16-17H,4-5,12-15H2,(H,29,35)(H,28,30,34)
InChIKeyULVGGJBGIFBVCO-UHFFFAOYSA-N
XLogP5.11
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.52
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 24771822) is N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide is O=C(Nc1cc(Oc2ccc(NC(=O)N3CCN(c4ccccc4)C3=O)cc2F)ccn1)N1CCCC1.
What is the InChIKey of N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is ULVGGJBGIFBVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O4/c27-21-16-18(29-25(35)33-15-14-32(26(33)36)19-6-2-1-3-7-19)8-9-22(21)37-20-10-11-28-23(17-20)30-24(34)31-12-4-5-13-31/h1-3,6-11,16-17H,4-5,12-15H2,(H,29,35)(H,28,30,34).
What are the key properties of N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 504.52 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 24771822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).