1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea

C26H24FN5O3 — CID 72948635

IUPAC1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
SMILESCc1ccc(-n2nc(C3(C)COC3)cc2NC(=O)Nc2ccc(Oc3ccncc3)cc2F)cc1
InChIInChI=1S/C26H24FN5O3/c1-17-3-5-18(6-4-17)32-24(14-23(31-32)26(2)15-34-16-26)30-25(33)29-22-8-7-20(13-21(22)27)35-19-9-11-28-12-10-19/h3-14H,15-16H2,1-2H3,(H2,29,30,33)
InChIKeyUQRMGRNXOLKEJM-UHFFFAOYSA-N
MW473.51 g/mol
LogP5.44
Rot. Bonds6

About 1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea

1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea (PubChem CID 72948635) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
PubChem CID72948635
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
SMILESCc1ccc(-n2nc(C3(C)COC3)cc2NC(=O)Nc2ccc(Oc3ccncc3)cc2F)cc1
InChIInChI=1S/C26H24FN5O3/c1-17-3-5-18(6-4-17)32-24(14-23(31-32)26(2)15-34-16-26)30-25(33)29-22-8-7-20(13-21(22)27)35-19-9-11-28-12-10-19/h3-14H,15-16H2,1-2H3,(H2,29,30,33)
InChIKeyUQRMGRNXOLKEJM-UHFFFAOYSA-N
XLogP5.44
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-cyclobutyl-1-(3,5-difluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea
CID 141209843
1-[1-[4-(2-aminoethoxy)phenyl]-3-tert-butylpyrazol-5-yl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 11613280
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-fluoro-4-(2H-triazolo[4,5-b]pyridin-7-yloxy)phenyl]urea
CID 46900268
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-fluoro-4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 46196677
4-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide
CID 58385355
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-fluoro-4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea
CID 176549230
[3-(1-methylcyclopropyl)-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 142779393
(2S)-2-[[4-[3-tert-butyl-5-[[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]carbamoylamino]pyrazol-1-yl]phenyl]methylamino]propanamide
CID 67022331
4-[4-[[3-tert-butyl-1-(4-sulfamoylphenyl)pyrazol-5-yl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 58385379
1-[3-tert-butyl-1-(4-cyanophenyl)pyrazol-5-yl]-3-[2-fluoro-4-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]phenyl]urea
CID 25105763
1-[3-tert-butyl-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 141209874
1-[1-(4-cyanophenyl)-3-propan-2-ylpyrazol-5-yl]-3-[2-fluoro-4-[[2-(1-methylpyrazol-3-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69298023

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
The IUPAC name of 1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea (CID 72948635) is 1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
The canonical SMILES for 1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea is Cc1ccc(-n2nc(C3(C)COC3)cc2NC(=O)Nc2ccc(Oc3ccncc3)cc2F)cc1.
What is the InChIKey of 1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
The InChIKey is UQRMGRNXOLKEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-17-3-5-18(6-4-17)32-24(14-23(31-32)26(2)15-34-16-26)30-25(33)29-22-8-7-20(13-21(22)27)35-19-9-11-28-12-10-19/h3-14H,15-16H2,1-2H3,(H2,29,30,33).
What are the key properties of 1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea?
1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea has a molecular weight of 473.51 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea is sourced from PubChem (CID 72948635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).