1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea

C25H24ClF3N4O2 — CID 44533356

IUPAC1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea
SMILESCN1CCC(Oc2cc(NC(=O)Nc3ccc(-c4ccncc4)c(C(F)(F)F)c3)ccc2Cl)CC1
InChIInChI=1S/C25H24ClF3N4O2/c1-33-12-8-19(9-13-33)35-23-15-18(3-5-22(23)26)32-24(34)31-17-2-4-20(16-6-10-30-11-7-16)21(14-17)25(27,28)29/h2-7,10-11,14-15,19H,8-9,12-13H2,1H3,(H2,31,32,34)
InChIKeyKWHMJAXJPONKEI-UHFFFAOYSA-N
MW504.94 g/mol
LogP6.54
Rot. Bonds5

About 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea

1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea (PubChem CID 44533356) has the molecular formula C25H24ClF3N4O2 and a molecular weight of 504.94 g/mol. Its IUPAC name is 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea
PubChem CID44533356
Molecular FormulaC25H24ClF3N4O2
Molecular Weight504.94 g/mol
Exact Mass504.15
IUPAC Name1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea
SMILESCN1CCC(Oc2cc(NC(=O)Nc3ccc(-c4ccncc4)c(C(F)(F)F)c3)ccc2Cl)CC1
InChIInChI=1S/C25H24ClF3N4O2/c1-33-12-8-19(9-13-33)35-23-15-18(3-5-22(23)26)32-24(34)31-17-2-4-20(16-6-10-30-11-7-16)21(14-17)25(27,28)29/h2-7,10-11,14-15,19H,8-9,12-13H2,1H3,(H2,31,32,34)
InChIKeyKWHMJAXJPONKEI-UHFFFAOYSA-N
XLogP6.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.94
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)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-(4-bromo-1,2-benzoxazol-7-yl)-3-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]urea
CID 171091085
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507170
N-[4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]-4,5-dimethoxy-2-(trifluoromethyl)benzenesulfonamide
CID 10141465
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-ylanilino)urea
CID 59708654
1-(4-bromo-2,2-dimethyl-3H-1-benzofuran-7-yl)-3-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]urea
CID 171091124
4-[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
CID 44526072
1-[2-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-3-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]urea
CID 166090583
4-chloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfanyl-3-(1-methylpyrrolidin-3-yl)oxyaniline
CID 142184488
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 71790110
2-chloro-4-(3,4-dichlorophenyl)sulfanyl-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 10008900
1-(4-chloro-3-methylphenyl)-3-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]urea
CID 118064211

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea (CID 44533356) is 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea is CN1CCC(Oc2cc(NC(=O)Nc3ccc(-c4ccncc4)c(C(F)(F)F)c3)ccc2Cl)CC1.
What is the InChIKey of 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea?
The InChIKey is KWHMJAXJPONKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N4O2/c1-33-12-8-19(9-13-33)35-23-15-18(3-5-22(23)26)32-24(34)31-17-2-4-20(16-6-10-30-11-7-16)21(14-17)25(27,28)29/h2-7,10-11,14-15,19H,8-9,12-13H2,1H3,(H2,31,32,34).
What are the key properties of 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea?
1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea has a molecular weight of 504.94 g/mol, XLogP of 6.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(1-methylpiperidin-4-yl)oxyphenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 44533356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).