1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea

C28H26FN7O3 — CID 66729486

About 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea

1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea (PubChem CID 66729486) has the molecular formula C28H26FN7O3 and a molecular weight of 527.56 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea.

Molecular Properties

• Compound Name: 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea
• PubChem CID: 66729486
• Molecular Formula: C28H26FN7O3
• Molecular Weight: 527.56 g/mol
• Exact Mass: 527.21
• IUPAC Name: 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea
• SMILES: Cn1cc(-c2cc(Oc3ccc(NC(=O)NC4C(=O)Nc5cc(N6CCCC6)ccc54)c(F)c3)ccn2)cn1
• InChI: InChI=1S/C28H26FN7O3/c1-35-16-17(15-31-35)24-14-20(8-9-30-24)39-19-5-7-23(22(29)13-19)33-28(38)34-26-21-6-4-18(36-10-2-3-11-36)12-25(21)32-27(26)37/h4-9,12-16,26H,2-3,10-11H2,1H3,(H,32,37)(H2,33,34,38)
• InChIKey: XMSPEOBGMDSEOG-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.56
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea?

The IUPAC name of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea (CID 66729486) is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea.

What is the SMILES notation for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea?

The canonical SMILES for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea is Cn1cc(-c2cc(Oc3ccc(NC(=O)NC4C(=O)Nc5cc(N6CCCC6)ccc54)c(F)c3)ccn2)cn1.

What is the InChIKey of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea?

The InChIKey is XMSPEOBGMDSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O3/c1-35-16-17(15-31-35)24-14-20(8-9-30-24)39-19-5-7-23(22(29)13-19)33-28(38)34-26-21-6-4-18(36-10-2-3-11-36)12-25(21)32-27(26)37/h4-9,12-16,26H,2-3,10-11H2,1H3,(H,32,37)(H2,33,34,38).

What are the key properties of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea?

1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea has a molecular weight of 527.56 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 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-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydroindol-3-yl)urea is sourced from PubChem (CID 66729486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).