1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea

C23H17FN6O — CID 54597220

IUPAC1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea
SMILESO=C(Nc1ccc(-c2ccc3c(-c4ccn[nH]4)n[nH]c3c2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C23H17FN6O/c24-16-2-1-3-18(13-16)27-23(31)26-17-7-4-14(5-8-17)15-6-9-19-21(12-15)29-30-22(19)20-10-11-25-28-20/h1-13H,(H,25,28)(H,29,30)(H2,26,27,31)
InChIKeyXIUOAOBMCHTGDO-UHFFFAOYSA-N
MW412.43 g/mol
LogP5.40
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea

1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea (PubChem CID 54597220) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea
PubChem CID54597220
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC Name1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea
SMILESO=C(Nc1ccc(-c2ccc3c(-c4ccn[nH]4)n[nH]c3c2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C23H17FN6O/c24-16-2-1-3-18(13-16)27-23(31)26-17-7-4-14(5-8-17)15-6-9-19-21(12-15)29-30-22(19)20-10-11-25-28-20/h1-13H,(H,25,28)(H,29,30)(H2,26,27,31)
InChIKeyXIUOAOBMCHTGDO-UHFFFAOYSA-N
XLogP5.40
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.43
LogP ≤ 55.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea (CID 54597220) is 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea is O=C(Nc1ccc(-c2ccc3c(-c4ccn[nH]4)n[nH]c3c2)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea?
The InChIKey is XIUOAOBMCHTGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O/c24-16-2-1-3-18(13-16)27-23(31)26-17-7-4-14(5-8-17)15-6-9-19-21(12-15)29-30-22(19)20-10-11-25-28-20/h1-13H,(H,25,28)(H,29,30)(H2,26,27,31).
What are the key properties of 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea?
1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea has a molecular weight of 412.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-[3-(1H-pyrazol-5-yl)-1H-indazol-6-yl]phenyl]urea is sourced from PubChem (CID 54597220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).