3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

C25H23F3N2O4 — CID 138609199

IUPAC3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESCC(C)(O)c1cc(OC(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1
InChIInChI=1S/C25H23F3N2O4/c1-24(2,32)20-11-21(34-23(27)28)29-12-19(20)15-3-5-16(6-4-15)25(13-33-14-25)22(31)30-18-9-7-17(26)8-10-18/h3-12,23,32H,13-14H2,1-2H3,(H,30,31)
InChIKeyAKMOBNRXDHAUTF-UHFFFAOYSA-N
MW472.46 g/mol
LogP4.62
Rot. Bonds7

About 3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (PubChem CID 138609199) has the molecular formula C25H23F3N2O4 and a molecular weight of 472.46 g/mol. Its IUPAC name is 3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
PubChem CID138609199
Molecular FormulaC25H23F3N2O4
Molecular Weight472.46 g/mol
Exact Mass472.16
IUPAC Name3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESCC(C)(O)c1cc(OC(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1
InChIInChI=1S/C25H23F3N2O4/c1-24(2,32)20-11-21(34-23(27)28)29-12-19(20)15-3-5-16(6-4-15)25(13-33-14-25)22(31)30-18-9-7-17(26)8-10-18/h3-12,23,32H,13-14H2,1-2H3,(H,30,31)
InChIKeyAKMOBNRXDHAUTF-UHFFFAOYSA-N
XLogP4.62
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-[4-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]phenyl]oxetane-3-carboxamide
CID 138609145
3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609149
N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide
CID 138609152
3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138631252
N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide
CID 138609143
N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide
CID 159513799
N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266
N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide
CID 138609059
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609161
3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609114
N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide
CID 138609181
4-(4-fluorophenyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 49422466

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The IUPAC name of 3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (CID 138609199) is 3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is CC(C)(O)c1cc(OC(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1.
What is the InChIKey of 3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The InChIKey is AKMOBNRXDHAUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O4/c1-24(2,32)20-11-21(34-23(27)28)29-12-19(20)15-3-5-16(6-4-15)25(13-33-14-25)22(31)30-18-9-7-17(26)8-10-18/h3-12,23,32H,13-14H2,1-2H3,(H,30,31).
What are the key properties of 3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide has a molecular weight of 472.46 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is sourced from PubChem (CID 138609199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).