1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea

C26H28FN7O2 — CID 25242521

IUPAC1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C5(C)CCCC5)nn4C)c(F)c3)ccn2)cn1
InChIInChI=1S/C26H28FN7O2/c1-26(9-4-5-10-26)23-14-24(34(3)32-23)31-25(35)30-21-7-6-18(12-20(21)27)36-19-8-11-28-22(13-19)17-15-29-33(2)16-17/h6-8,11-16H,4-5,9-10H2,1-3H3,(H2,30,31,35)
InChIKeyQLCJYIHYQIWAKN-UHFFFAOYSA-N
MW489.56 g/mol
LogP5.62
Rot. Bonds6

About 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea

1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea (PubChem CID 25242521) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea
PubChem CID25242521
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C5(C)CCCC5)nn4C)c(F)c3)ccn2)cn1
InChIInChI=1S/C26H28FN7O2/c1-26(9-4-5-10-26)23-14-24(34(3)32-23)31-25(35)30-21-7-6-18(12-20(21)27)36-19-8-11-28-22(13-19)17-15-29-33(2)16-17/h6-8,11-16H,4-5,9-10H2,1-3H3,(H2,30,31,35)
InChIKeyQLCJYIHYQIWAKN-UHFFFAOYSA-N
XLogP5.62
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea?
The IUPAC name of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea (CID 25242521) is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea?
The canonical SMILES for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea is Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C5(C)CCCC5)nn4C)c(F)c3)ccn2)cn1.
What is the InChIKey of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea?
The InChIKey is QLCJYIHYQIWAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-26(9-4-5-10-26)23-14-24(34(3)32-23)31-25(35)30-21-7-6-18(12-20(21)27)36-19-8-11-28-22(13-19)17-15-29-33(2)16-17/h6-8,11-16H,4-5,9-10H2,1-3H3,(H2,30,31,35).
What are the key properties of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea?
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea has a molecular weight of 489.56 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[1-methyl-3-(1-methylcyclopentyl)pyrazol-5-yl]urea is sourced from PubChem (CID 25242521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).