1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea

C23H24FN7O3 — CID 68799180

IUPAC1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea
SMILESCc1cc(-c2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4C)c(F)c3)n2)on1
InChIInChI=1S/C23H24FN7O3/c1-13-10-17(34-30-13)21-25-9-8-20(28-21)33-14-6-7-16(15(24)11-14)26-22(32)27-19-12-18(23(2,3)4)29-31(19)5/h6-12H,1-5H3,(H2,26,27,32)
InChIKeyNCXIPKFJRHVDNO-UHFFFAOYSA-N
MW465.49 g/mol
LogP5.05
Rot. Bonds5

About 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea

1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea (PubChem CID 68799180) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea
PubChem CID68799180
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea
SMILESCc1cc(-c2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4C)c(F)c3)n2)on1
InChIInChI=1S/C23H24FN7O3/c1-13-10-17(34-30-13)21-25-9-8-20(28-21)33-14-6-7-16(15(24)11-14)26-22(32)27-19-12-18(23(2,3)4)29-31(19)5/h6-12H,1-5H3,(H2,26,27,32)
InChIKeyNCXIPKFJRHVDNO-UHFFFAOYSA-N
XLogP5.05
TPSA119.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[[2-(4-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]phenyl]urea
CID 68737286
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-5-[[2-(1,3-oxazol-2-yl)-4-pyridinyl]oxy]phenyl]urea
CID 68793013
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CID 68791388
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-phenylpyrazol-5-yl)-3-[2-fluoro-4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea
CID 176549230
4-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide
CID 58385355
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-5-[4-(1H-pyrazol-4-yl)pyrimidin-2-yl]oxyphenyl]urea
CID 68734967
1-[2-fluoro-4-[2-(1-methylimidazol-4-yl)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 143499629
1-[3-tert-butyl-1-[3-(3-hydroxypropoxy)phenyl]pyrazol-5-yl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 11606236
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-(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

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea (CID 68799180) is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea is Cc1cc(-c2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4C)c(F)c3)n2)on1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea?
The InChIKey is NCXIPKFJRHVDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-13-10-17(34-30-13)21-25-9-8-20(28-21)33-14-6-7-16(15(24)11-14)26-22(32)27-19-12-18(23(2,3)4)29-31(19)5/h6-12H,1-5H3,(H2,26,27,32).
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea?
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea has a molecular weight of 465.49 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 68799180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).