3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea

C25H26F3N4OP — CID 142124765

IUPAC3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCN(C(=O)Nc1ccc(-c2cccc(C(F)(F)P)c2)cc1F)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H26F3N4OP/c1-31(20-10-13-32(14-11-20)23-7-2-3-12-29-23)24(33)30-22-9-8-18(16-21(22)26)17-5-4-6-19(15-17)25(27,28)34/h2-9,12,15-16,20H,10-11,13-14,34H2,1H3,(H,30,33)
InChIKeyBETWDWDCWKAFLF-UHFFFAOYSA-N
MW486.48 g/mol
LogP5.94
Rot. Bonds5

About 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea

3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 142124765) has the molecular formula C25H26F3N4OP and a molecular weight of 486.48 g/mol. Its IUPAC name is 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID142124765
Molecular FormulaC25H26F3N4OP
Molecular Weight486.48 g/mol
Exact Mass486.18
IUPAC Name3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCN(C(=O)Nc1ccc(-c2cccc(C(F)(F)P)c2)cc1F)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H26F3N4OP/c1-31(20-10-13-32(14-11-20)23-7-2-3-12-29-23)24(33)30-22-9-8-18(16-21(22)26)17-5-4-6-19(15-17)25(27,28)34/h2-9,12,15-16,20H,10-11,13-14,34H2,1H3,(H,30,33)
InChIKeyBETWDWDCWKAFLF-UHFFFAOYSA-N
XLogP5.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.48
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(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

3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 20782328
3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10224124
1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea
CID 20782216
1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 20782286
N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174623
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 10114157
3-(2,4-difluorophenyl)-1-methyl-1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
CID 86344034
N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99875681
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160574
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
1-(1-cyclopropylsulfonylpiperidin-4-yl)-1-methyl-3-[5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]urea
CID 10116869
(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 97060564

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 142124765) is 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea is CN(C(=O)Nc1ccc(-c2cccc(C(F)(F)P)c2)cc1F)C1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is BETWDWDCWKAFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N4OP/c1-31(20-10-13-32(14-11-20)23-7-2-3-12-29-23)24(33)30-22-9-8-18(16-21(22)26)17-5-4-6-19(15-17)25(27,28)34/h2-9,12,15-16,20H,10-11,13-14,34H2,1H3,(H,30,33).
What are the key properties of 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea?
3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 486.48 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 142124765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).