methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate

C26H31F2N3O5 — CID 146265818

IUPACmethyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CN2CC(C(=O)Nc3ccc(C)nc3OC(F)F)(c3ccccc3C(C)C)C2)COC1
InChIInChI=1S/C26H31F2N3O5/c1-16(2)18-7-5-6-8-19(18)26(12-31(13-26)11-25(14-35-15-25)23(33)34-4)22(32)30-20-10-9-17(3)29-21(20)36-24(27)28/h5-10,16,24H,11-15H2,1-4H3,(H,30,32)
InChIKeyAZODOGAWICBBGJ-UHFFFAOYSA-N
MW503.55 g/mol
LogP3.50
Rot. Bonds9

About methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate

methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate (PubChem CID 146265818) has the molecular formula C26H31F2N3O5 and a molecular weight of 503.55 g/mol. Its IUPAC name is methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate
PubChem CID146265818
Molecular FormulaC26H31F2N3O5
Molecular Weight503.55 g/mol
Exact Mass503.22
IUPAC Namemethyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CN2CC(C(=O)Nc3ccc(C)nc3OC(F)F)(c3ccccc3C(C)C)C2)COC1
InChIInChI=1S/C26H31F2N3O5/c1-16(2)18-7-5-6-8-19(18)26(12-31(13-26)11-25(14-35-15-25)23(33)34-4)22(32)30-20-10-9-17(3)29-21(20)36-24(27)28/h5-10,16,24H,11-15H2,1-4H3,(H,30,32)
InChIKeyAZODOGAWICBBGJ-UHFFFAOYSA-N
XLogP3.50
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate with MolForge

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Related Compounds

3-[2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2-oxoethyl]oxetane-3-carboxylic acid
CID 166512843
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(methylamino)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 166512830
3-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2,2-dimethylpropanoic acid
CID 166512726
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265685
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
CID 146265693
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[2-(1-hydroxycyclopropyl)ethyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265782
1-[(2S)-3-amino-2-hydroxypropyl]-N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 146265857
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-4-(2-propan-2-ylphenyl)oxane-4-carboxamide
CID 167456118
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(propylsulfamoyl)azetidine-3-carboxamide
CID 166512797
[1-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 146265906
N-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-3-(2-propan-2-ylphenyl)-1-(2H-tetrazole-5-carbonyl)azetidine-3-carboxamide
CID 166512885
ethyl 2-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]sulfonylamino]acetate
CID 150283235

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate (CID 146265818) is methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate is COC(=O)C1(CN2CC(C(=O)Nc3ccc(C)nc3OC(F)F)(c3ccccc3C(C)C)C2)COC1.
What is the InChIKey of methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate?
The InChIKey is AZODOGAWICBBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O5/c1-16(2)18-7-5-6-8-19(18)26(12-31(13-26)11-25(14-35-15-25)23(33)34-4)22(32)30-20-10-9-17(3)29-21(20)36-24(27)28/h5-10,16,24H,11-15H2,1-4H3,(H,30,32).
What are the key properties of methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate?
methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate has a molecular weight of 503.55 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]methyl]oxetane-3-carboxylate is sourced from PubChem (CID 146265818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).