N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide

C25H24FN7O4 — CID 44177802

IUPACN-[3-fluoro-4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESC1CCN(C1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)NC(=O)N4CCN(C4=O)C5=CC=CC=C5)F
InChIInChI=1S/C25H24FN7O4/c26-19-14-17(29-24(35)33-13-12-32(25(33)36)18-6-2-1-3-7-18)8-9-20(19)37-22-15-21(27-16-28-22)30-23(34)31-10-4-5-11-31/h1-3,6-9,14-16H,4-5,10-13H2,(H,29,35)(H,27,28,30,34)
InChIKeyULRHPTYPZDKGBT-UHFFFAOYSA-N
MW505.50 g/mol
LogP2.50
Rot. Bonds5

About N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide

N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide (PubChem CID 44177802) has the molecular formula C25H24FN7O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
PubChem CID44177802
Molecular FormulaC25H24FN7O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC NameN-[3-fluoro-4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
SMILESC1CCN(C1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)NC(=O)N4CCN(C4=O)C5=CC=CC=C5)F
InChIInChI=1S/C25H24FN7O4/c26-19-14-17(29-24(35)33-13-12-32(25(33)36)18-6-2-1-3-7-18)8-9-20(19)37-22-15-21(27-16-28-22)30-23(34)31-10-4-5-11-31/h1-3,6-9,14-16H,4-5,10-13H2,(H,29,35)(H,27,28,30,34)
InChIKeyULRHPTYPZDKGBT-UHFFFAOYSA-N
XLogP2.50
TPSA120.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity823

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide?
The IUPAC name of N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide (CID 44177802) is N-[3-fluoro-4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide.
What is the SMILES notation for N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide?
The canonical SMILES for N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide is C1CCN(C1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)NC(=O)N4CCN(C4=O)C5=CC=CC=C5)F.
What is the InChIKey of N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide?
The InChIKey is ULRHPTYPZDKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O4/c26-19-14-17(29-24(35)33-13-12-32(25(33)36)18-6-2-1-3-7-18)8-9-20(19)37-22-15-21(27-16-28-22)30-23(34)31-10-4-5-11-31/h1-3,6-9,14-16H,4-5,10-13H2,(H,29,35)(H,27,28,30,34).
What are the key properties of N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide?
N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 2.50, 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-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide is sourced from PubChem (CID 44177802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).