1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea

C26H26F2N4O3 — CID 123402252

IUPAC1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea
SMILESCC(F)(F)c1ccnc(NC(=O)Nc2ccc(Oc3ccnc(CCCC(=O)C4CC4)c3)cc2)c1
InChIInChI=1S/C26H26F2N4O3/c1-26(27,28)18-11-13-30-24(15-18)32-25(34)31-19-7-9-21(10-8-19)35-22-12-14-29-20(16-22)3-2-4-23(33)17-5-6-17/h7-17H,2-6H2,1H3,(H2,30,31,32,34)
InChIKeyFODGMFNWYHAASL-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.33
Rot. Bonds10

About 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea

1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea (PubChem CID 123402252) has the molecular formula C26H26F2N4O3 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea
PubChem CID123402252
Molecular FormulaC26H26F2N4O3
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea
SMILESCC(F)(F)c1ccnc(NC(=O)Nc2ccc(Oc3ccnc(CCCC(=O)C4CC4)c3)cc2)c1
InChIInChI=1S/C26H26F2N4O3/c1-26(27,28)18-11-13-30-24(15-18)32-25(34)31-19-7-9-21(10-8-19)35-22-12-14-29-20(16-22)3-2-4-23(33)17-5-6-17/h7-17H,2-6H2,1H3,(H2,30,31,32,34)
InChIKeyFODGMFNWYHAASL-UHFFFAOYSA-N
XLogP6.33
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]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-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-[4-methyl-3-(trifluoromethoxy)phenyl]urea
CID 123622116
1-[4-[[2-(3-cyclopropyl-3-oxopropyl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-[5-(1,1-difluoroethyl)-3-pyridinyl]urea
CID 123702029
N-[4-[4-[[3-(1,1-difluoroethyl)-4-fluorophenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118234021
N-[4-[4-[3-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 152963716
1-[4-[[2-(3-cyclopropyl-3-oxopropyl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-[3-(1-piperazin-1-ylethyl)-5-(trifluoromethyl)phenyl]urea
CID 123960233
1-[3-[6-(4-cyclopropyl-4-oxobutyl)pyrimidin-4-yl]oxy-5-fluorophenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 134409016
N-[4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233698
N-[4-[[5-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]carbamoylamino]-2-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233980
1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
CID 58659455
N-[4-[[6-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233799
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
carbamoyl 4-[4-[[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 90766752

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea?
The IUPAC name of 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea (CID 123402252) is 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea is CC(F)(F)c1ccnc(NC(=O)Nc2ccc(Oc3ccnc(CCCC(=O)C4CC4)c3)cc2)c1.
What is the InChIKey of 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea?
The InChIKey is FODGMFNWYHAASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3/c1-26(27,28)18-11-13-30-24(15-18)32-25(34)31-19-7-9-21(10-8-19)35-22-12-14-29-20(16-22)3-2-4-23(33)17-5-6-17/h7-17H,2-6H2,1H3,(H2,30,31,32,34).
What are the key properties of 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea?
1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea has a molecular weight of 480.52 g/mol, XLogP of 6.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-cyclopropyl-4-oxobutyl)-4-pyridinyl]oxy]phenyl]-3-[4-(1,1-difluoroethyl)-2-pyridinyl]urea is sourced from PubChem (CID 123402252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).