1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea

C22H24FN5O2 — CID 25242494

IUPAC1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)NC4CCCCC4)c(F)c3)ccn2)cn1
InChIInChI=1S/C22H24FN5O2/c1-28-14-15(13-25-28)21-12-18(9-10-24-21)30-17-7-8-20(19(23)11-17)27-22(29)26-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H2,26,27,29)
InChIKeyOPQZVBMCSARFKC-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.87
Rot. Bonds5

About 1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea

1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea (PubChem CID 25242494) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
PubChem CID25242494
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)NC4CCCCC4)c(F)c3)ccn2)cn1
InChIInChI=1S/C22H24FN5O2/c1-28-14-15(13-25-28)21-12-18(9-10-24-21)30-17-7-8-20(19(23)11-17)27-22(29)26-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H2,26,27,29)
InChIKeyOPQZVBMCSARFKC-UHFFFAOYSA-N
XLogP4.87
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea (CID 25242494) is 1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea is Cn1cc(-c2cc(Oc3ccc(NC(=O)NC4CCCCC4)c(F)c3)ccn2)cn1.
What is the InChIKey of 1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea?
The InChIKey is OPQZVBMCSARFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-28-14-15(13-25-28)21-12-18(9-10-24-21)30-17-7-8-20(19(23)11-17)27-22(29)26-16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H2,26,27,29).
What are the key properties of 1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea?
1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea has a molecular weight of 409.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea is sourced from PubChem (CID 25242494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).