N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide

C24H24F2N6O4 — CID 86270037

IUPACN-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
SMILESCn1cc(-c2cc(Oc3cc(F)c(NC(=O)N4CCN(C5CCOCC5)C4=O)cc3F)ccn2)cn1
InChIInChI=1S/C24H24F2N6O4/c1-30-14-15(13-28-30)20-10-17(2-5-27-20)36-22-12-18(25)21(11-19(22)26)29-23(33)32-7-6-31(24(32)34)16-3-8-35-9-4-16/h2,5,10-14,16H,3-4,6-9H2,1H3,(H,29,33)
InChIKeyKASJXJFEJCMFLM-UHFFFAOYSA-N
MW498.49 g/mol
LogP4.00
Rot. Bonds5

About N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide

N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide (PubChem CID 86270037) has the molecular formula C24H24F2N6O4 and a molecular weight of 498.49 g/mol. Its IUPAC name is N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
PubChem CID86270037
Molecular FormulaC24H24F2N6O4
Molecular Weight498.49 g/mol
Exact Mass498.18
IUPAC NameN-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
SMILESCn1cc(-c2cc(Oc3cc(F)c(NC(=O)N4CCN(C5CCOCC5)C4=O)cc3F)ccn2)cn1
InChIInChI=1S/C24H24F2N6O4/c1-30-14-15(13-28-30)20-10-17(2-5-27-20)36-22-12-18(25)21(11-19(22)26)29-23(33)32-7-6-31(24(32)34)16-3-8-35-9-4-16/h2,5,10-14,16H,3-4,6-9H2,1H3,(H,29,33)
InChIKeyKASJXJFEJCMFLM-UHFFFAOYSA-N
XLogP4.00
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide (CID 86270037) is N-[2,5-difluoro-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-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide is Cn1cc(-c2cc(Oc3cc(F)c(NC(=O)N4CCN(C5CCOCC5)C4=O)cc3F)ccn2)cn1.
What is the InChIKey of N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The InChIKey is KASJXJFEJCMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O4/c1-30-14-15(13-28-30)20-10-17(2-5-27-20)36-22-12-18(25)21(11-19(22)26)29-23(33)32-7-6-31(24(32)34)16-3-8-35-9-4-16/h2,5,10-14,16H,3-4,6-9H2,1H3,(H,29,33).
What are the key properties of N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide has a molecular weight of 498.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 86270037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).