1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea

C22H26F2N4O4 — CID 167457101

IUPAC1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CN(C(C)=O)C2)c(OC(F)F)n1
InChIInChI=1S/C22H26F2N4O4/c1-13(2)16-7-5-6-8-18(16)28(15-11-27(12-15)14(3)29)22(30)25-17-9-10-19(31-4)26-20(17)32-21(23)24/h5-10,13,15,21H,11-12H2,1-4H3,(H,25,30)
InChIKeyOCAKZPUJPWVTAB-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.08
Rot. Bonds7

About 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea

1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea (PubChem CID 167457101) has the molecular formula C22H26F2N4O4 and a molecular weight of 448.47 g/mol. Its IUPAC name is 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea
PubChem CID167457101
Molecular FormulaC22H26F2N4O4
Molecular Weight448.47 g/mol
Exact Mass448.19
IUPAC Name1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CN(C(C)=O)C2)c(OC(F)F)n1
InChIInChI=1S/C22H26F2N4O4/c1-13(2)16-7-5-6-8-18(16)28(15-11-27(12-15)14(3)29)22(30)25-17-9-10-19(31-4)26-20(17)32-21(23)24/h5-10,13,15,21H,11-12H2,1-4H3,(H,25,30)
InChIKeyOCAKZPUJPWVTAB-UHFFFAOYSA-N
XLogP4.08
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)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-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(4-methylcyclohexyl)-1-(2-propan-2-ylphenyl)urea
CID 167457161
5-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]spiro[2.3]hexane-2-carboxylic acid
CID 167456964
2-[3-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]-2,2-difluoroacetic acid
CID 167456990
1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide
CID 167456464
3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl)-1-(2-propan-2-ylphenyl)urea
CID 167456586
ethyl 4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexane-1-carboxylate
CID 171569519
3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(1-methyl-2-oxopiperidin-3-yl)-1-(2-propan-2-ylphenyl)urea
CID 167456766
1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;ethane;1,2-oxazol-3-one
CID 167457035
2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide
CID 171569534
N-[3-[N-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclobutyl]acetamide
CID 167456914
1-(1-acetylazetidin-3-yl)-3-[5-chloro-3-(difluoromethoxy)-2-pyridinyl]-1-(2-propan-2-ylphenyl)urea
CID 167456656
acetaldehyde;3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(1-methylpyrrolidin-3-yl)-1-(2-propan-2-ylphenyl)urea
CID 167457250

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea (CID 167457101) is 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea is COc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CN(C(C)=O)C2)c(OC(F)F)n1.
What is the InChIKey of 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea?
The InChIKey is OCAKZPUJPWVTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O4/c1-13(2)16-7-5-6-8-18(16)28(15-11-27(12-15)14(3)29)22(30)25-17-9-10-19(31-4)26-20(17)32-21(23)24/h5-10,13,15,21H,11-12H2,1-4H3,(H,25,30).
What are the key properties of 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea?
1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea has a molecular weight of 448.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylazetidin-3-yl)-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 167457101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).