1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea

C26H33FN6O — CID 55994752

IUPAC1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H33FN6O/c1-32(26(34)29-22-12-16-33(17-13-22)25-11-4-5-14-28-25)15-6-2-3-10-23-19-24(31-30-23)20-8-7-9-21(27)18-20/h4-5,7-9,11,14,18-19,22H,2-3,6,10,12-13,15-17H2,1H3,(H,29,34)(H,30,31)
InChIKeyYAHWPTPRDRHXSM-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.63
Rot. Bonds9

About 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea

1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 55994752) has the molecular formula C26H33FN6O and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID55994752
Molecular FormulaC26H33FN6O
Molecular Weight464.59 g/mol
Exact Mass464.27
IUPAC Name1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H33FN6O/c1-32(26(34)29-22-12-16-33(17-13-22)25-11-4-5-14-28-25)15-6-2-3-10-23-19-24(31-30-23)20-8-7-9-21(27)18-20/h4-5,7-9,11,14,18-19,22H,2-3,6,10,12-13,15-17H2,1H3,(H,29,34)(H,30,31)
InChIKeyYAHWPTPRDRHXSM-UHFFFAOYSA-N
XLogP4.63
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)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-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 55994619
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpiperidine-3-carboxamide
CID 119301819
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 55978255
2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55977088
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
4-[[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]amino]butanoic acid
CID 122021510
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 55975546
1-methyl-1-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 55913120
[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 71802804
1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea
CID 55994231
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119746043
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(methylsulfamoyl)benzamide
CID 55975551

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 55994752) is 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is YAHWPTPRDRHXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O/c1-32(26(34)29-22-12-16-33(17-13-22)25-11-4-5-14-28-25)15-6-2-3-10-23-19-24(31-30-23)20-8-7-9-21(27)18-20/h4-5,7-9,11,14,18-19,22H,2-3,6,10,12-13,15-17H2,1H3,(H,29,34)(H,30,31).
What are the key properties of 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 464.59 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 55994752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).