1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea

C24H17FN6O2 — CID 73330590

IUPAC1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccccc2-c2ncnc3[nH]ncc23)cc1)Nc1cccc(F)c1
InChIInChI=1S/C24H17FN6O2/c25-15-4-3-5-17(12-15)30-24(32)29-16-8-10-18(11-9-16)33-21-7-2-1-6-19(21)22-20-13-28-31-23(20)27-14-26-22/h1-14H,(H2,29,30,32)(H,26,27,28,31)
InChIKeyHEYSWSURBFCKLW-UHFFFAOYSA-N
MW440.44 g/mol
LogP5.60
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea

1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea (PubChem CID 73330590) has the molecular formula C24H17FN6O2 and a molecular weight of 440.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea
PubChem CID73330590
Molecular FormulaC24H17FN6O2
Molecular Weight440.44 g/mol
Exact Mass440.14
IUPAC Name1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccccc2-c2ncnc3[nH]ncc23)cc1)Nc1cccc(F)c1
InChIInChI=1S/C24H17FN6O2/c25-15-4-3-5-17(12-15)30-24(32)29-16-8-10-18(11-9-16)33-21-7-2-1-6-19(21)22-20-13-28-31-23(20)27-14-26-22/h1-14H,(H2,29,30,32)(H,26,27,28,31)
InChIKeyHEYSWSURBFCKLW-UHFFFAOYSA-N
XLogP5.60
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.44
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]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

Related Compounds

1-(3-methoxyphenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea
CID 73332805
3-tert-butyl-5-[[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]carbamoylamino]pyrazole-1-carboxylic acid
CID 73331594
1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 71575544
1-(4-fluorophenyl)-3-[4-[(3-phenyl-4-pyridinyl)oxy]phenyl]urea
CID 22936728
1-[3-methyl-4-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 144557783
1-(1,3-benzothiazol-2-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
CID 118489479
1-(4-methylsulfanylphenyl)-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]urea
CID 20597204
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea
CID 155206380
1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
CID 146121634
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea (CID 73330590) is 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea is O=C(Nc1ccc(Oc2ccccc2-c2ncnc3[nH]ncc23)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea?
The InChIKey is HEYSWSURBFCKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O2/c25-15-4-3-5-17(12-15)30-24(32)29-16-8-10-18(11-9-16)33-21-7-2-1-6-19(21)22-20-13-28-31-23(20)27-14-26-22/h1-14H,(H2,29,30,32)(H,26,27,28,31).
What are the key properties of 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea?
1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea has a molecular weight of 440.44 g/mol, XLogP of 5.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-[2-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenoxy]phenyl]urea is sourced from PubChem (CID 73330590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).