N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide

C24H25FN6O4 — CID 90426642

IUPACN-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)N4CCN(C5CCOCC5)C4=O)cc3F)ccn2)cn1
InChIInChI=1S/C24H25FN6O4/c1-29-15-16(14-27-29)21-13-19(4-7-26-21)35-22-3-2-17(12-20(22)25)28-23(32)31-9-8-30(24(31)33)18-5-10-34-11-6-18/h2-4,7,12-15,18H,5-6,8-11H2,1H3,(H,28,32)
InChIKeyCSDGAIYBFRHMBR-UHFFFAOYSA-N
MW480.50 g/mol
LogP3.86
Rot. Bonds5

About N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide

N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide (PubChem CID 90426642) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
PubChem CID90426642
Molecular FormulaC24H25FN6O4
Molecular Weight480.50 g/mol
Exact Mass480.19
IUPAC NameN-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)N4CCN(C5CCOCC5)C4=O)cc3F)ccn2)cn1
InChIInChI=1S/C24H25FN6O4/c1-29-15-16(14-27-29)21-13-19(4-7-26-21)35-22-3-2-17(12-20(22)25)28-23(32)31-9-8-30(24(31)33)18-5-10-34-11-6-18/h2-4,7,12-15,18H,5-6,8-11H2,1H3,(H,28,32)
InChIKeyCSDGAIYBFRHMBR-UHFFFAOYSA-N
XLogP3.86
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide (CID 90426642) is N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide is Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCN(C5CCOCC5)C4=O)cc3F)ccn2)cn1.
What is the InChIKey of N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The InChIKey is CSDGAIYBFRHMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O4/c1-29-15-16(14-27-29)21-13-19(4-7-26-21)35-22-3-2-17(12-20(22)25)28-23(32)31-9-8-30(24(31)33)18-5-10-34-11-6-18/h2-4,7,12-15,18H,5-6,8-11H2,1H3,(H,28,32).
What are the key properties of N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide has a molecular weight of 480.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 90426642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).