1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea

C24H26FN7O3 — CID 66729145

IUPAC1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)CO)nn4C)c(F)c3)ccn2)cn1
InChIInChI=1S/C24H26FN7O3/c1-24(2,14-33)21-11-22(32(4)30-21)29-23(34)28-19-6-5-16(9-18(19)25)35-17-7-8-26-20(10-17)15-12-27-31(3)13-15/h5-13,33H,14H2,1-4H3,(H2,28,29,34)
InChIKeySWCTWLMSZYOFMG-UHFFFAOYSA-N
MW479.52 g/mol
LogP4.06
Rot. Bonds7

About 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea

1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea (PubChem CID 66729145) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea
PubChem CID66729145
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC Name1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)CO)nn4C)c(F)c3)ccn2)cn1
InChIInChI=1S/C24H26FN7O3/c1-24(2,14-33)21-11-22(32(4)30-21)29-23(34)28-19-6-5-16(9-18(19)25)35-17-7-8-26-20(10-17)15-12-27-31(3)13-15/h5-13,33H,14H2,1-4H3,(H2,28,29,34)
InChIKeySWCTWLMSZYOFMG-UHFFFAOYSA-N
XLogP4.06
TPSA119.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea?
The IUPAC name of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea (CID 66729145) is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea.
What is the SMILES notation for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea?
The canonical SMILES for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea is Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)CO)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-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea?
The InChIKey is SWCTWLMSZYOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-24(2,14-33)21-11-22(32(4)30-21)29-23(34)28-19-6-5-16(9-18(19)25)35-17-7-8-26-20(10-17)15-12-27-31(3)13-15/h5-13,33H,14H2,1-4H3,(H2,28,29,34).
What are the key properties of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea?
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea has a molecular weight of 479.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 8 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-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]urea is sourced from PubChem (CID 66729145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).