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

C22H22FN7O2 — CID 25242519

IUPAC1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2F)cn1
InChIInChI=1S/C22H22FN7O2/c1-14(2)30-13-16(11-26-30)27-22(31)28-20-5-4-17(8-19(20)23)32-18-6-7-24-21(9-18)15-10-25-29(3)12-15/h4-14H,1-3H3,(H2,27,28,31)
InChIKeyRDPJTBRKUFEHIT-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.83
Rot. Bonds6

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

1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 25242519) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID25242519
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC Name1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2F)cn1
InChIInChI=1S/C22H22FN7O2/c1-14(2)30-13-16(11-26-30)27-22(31)28-20-5-4-17(8-19(20)23)32-18-6-7-24-21(9-18)15-10-25-29(3)12-15/h4-14H,1-3H3,(H2,27,28,31)
InChIKeyRDPJTBRKUFEHIT-UHFFFAOYSA-N
XLogP4.83
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.83
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-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 25242519) is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)n1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2F)cn1.
What is the InChIKey of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is RDPJTBRKUFEHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-14(2)30-13-16(11-26-30)27-22(31)28-20-5-4-17(8-19(20)23)32-18-6-7-24-21(9-18)15-10-25-29(3)12-15/h4-14H,1-3H3,(H2,27,28,31).
What are the key properties of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 435.46 g/mol, XLogP of 4.83, 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-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 25242519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).