1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea

C25H20FN7O2 — CID 59268841

IUPAC1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea
SMILESO=C(Nc1ccc(CCNc2ncnc3oc(-c4ccncc4)nc23)cc1)Nc1cccc(F)c1
InChIInChI=1S/C25H20FN7O2/c26-18-2-1-3-20(14-18)32-25(34)31-19-6-4-16(5-7-19)8-13-28-22-21-24(30-15-29-22)35-23(33-21)17-9-11-27-12-10-17/h1-7,9-12,14-15H,8,13H2,(H,28,29,30)(H2,31,32,34)
InChIKeyKNLNKDHQYDTUMZ-UHFFFAOYSA-N
MW469.48 g/mol
LogP5.12
Rot. Bonds7

About 1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea

1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea (PubChem CID 59268841) has the molecular formula C25H20FN7O2 and a molecular weight of 469.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea
PubChem CID59268841
Molecular FormulaC25H20FN7O2
Molecular Weight469.48 g/mol
Exact Mass469.17
IUPAC Name1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea
SMILESO=C(Nc1ccc(CCNc2ncnc3oc(-c4ccncc4)nc23)cc1)Nc1cccc(F)c1
InChIInChI=1S/C25H20FN7O2/c26-18-2-1-3-20(14-18)32-25(34)31-19-6-4-16(5-7-19)8-13-28-22-21-24(30-15-29-22)35-23(33-21)17-9-11-27-12-10-17/h1-7,9-12,14-15H,8,13H2,(H,28,29,30)(H2,31,32,34)
InChIKeyKNLNKDHQYDTUMZ-UHFFFAOYSA-N
XLogP5.12
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.48
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]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-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea (CID 59268841) is 1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea is O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccncc4)nc23)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea?
The InChIKey is KNLNKDHQYDTUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O2/c26-18-2-1-3-20(14-18)32-25(34)31-19-6-4-16(5-7-19)8-13-28-22-21-24(30-15-29-22)35-23(33-21)17-9-11-27-12-10-17/h1-7,9-12,14-15H,8,13H2,(H,28,29,30)(H2,31,32,34).
What are the key properties of 1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea?
1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea has a molecular weight of 469.48 g/mol, XLogP of 5.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-[2-[(2-pyridin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 59268841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).