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Pimavanserin

C25H34FN3O2 — CID 10071196

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
SMILESCC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
InChIInChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
InChIKeyRKEWSXXUOLRFBX-UHFFFAOYSA-N
MW427.56 g/mol
LogP4.67
Rot. Bonds8

About Pimavanserin

Pimavanserin (PubChem CID 10071196) has the molecular formula C25H34FN3O2 and a molecular weight of 427.56 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea.

Molecular Properties

Compound NamePimavanserin
PubChem CID10071196
Molecular FormulaC25H34FN3O2
Molecular Weight427.56 g/mol
Exact Mass427.26
IUPAC Name1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
SMILESCC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
InChIInChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
InChIKeyRKEWSXXUOLRFBX-UHFFFAOYSA-N
XLogP4.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-3-[(4-methoxyphenyl)methyl]urea
CID 15323520
1-[1-(3-Methoxy-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10547607
1-[(4-Fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]-1-piperidin-4-ylurea;hydrochloride
CID 68910730
1-benzyl-N-(4-methoxybenzyl)piperidin-4-amine
CID 784035
(2S)-2-amino-4-[(4-phenylmethoxyphenyl)methylamino]-1-piperidin-1-ylbutan-1-one
CID 11372458
N-isopropyl-7-(3-(piperidin-1-yl)propoxy)-4,5-dihydro-1H-benzo[c]azepine-2(3H)-carboxamide
CID 10090759
1-{1-[4-(Benzyloxy)phenyl]ethyl}-1-hydroxyurea
CID 10636949
N-hydroxy-N-{1-[4-(2-phenylethoxy)phenyl]ethyl}urea
CID 10851772

Frequently Asked Questions

What is the IUPAC name of Pimavanserin?
The IUPAC name of Pimavanserin (CID 10071196) is 1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea.
What is the SMILES notation for Pimavanserin?
The canonical SMILES for Pimavanserin is CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.
What is the InChIKey of Pimavanserin?
The InChIKey is RKEWSXXUOLRFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30).
What are the key properties of Pimavanserin?
Pimavanserin has a molecular weight of 427.56 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Pimavanserin is sourced from PubChem (CID 10071196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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