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

C24H21F4N3O3 — CID 138609152

IUPACN-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide
SMILESCC(C)(O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cn1
InChIInChI=1S/C24H21F4N3O3/c1-22(2,33)18-9-20(24(26,27)28)30-11-17(18)19-8-3-14(10-29-19)23(12-34-13-23)21(32)31-16-6-4-15(25)5-7-16/h3-11,33H,12-13H2,1-2H3,(H,31,32)
InChIKeyTUOKYSKNBIAKMS-UHFFFAOYSA-N
MW475.44 g/mol
LogP4.44
Rot. Bonds5

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

N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide (PubChem CID 138609152) has the molecular formula C24H21F4N3O3 and a molecular weight of 475.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide
PubChem CID138609152
Molecular FormulaC24H21F4N3O3
Molecular Weight475.44 g/mol
Exact Mass475.15
IUPAC NameN-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide
SMILESCC(C)(O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cn1
InChIInChI=1S/C24H21F4N3O3/c1-22(2,33)18-9-20(24(26,27)28)30-11-17(18)19-8-3-14(10-29-19)23(12-34-13-23)21(32)31-16-6-4-15(25)5-7-16/h3-11,33H,12-13H2,1-2H3,(H,31,32)
InChIKeyTUOKYSKNBIAKMS-UHFFFAOYSA-N
XLogP4.44
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide
CID 138609143
3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609199
N-(4-fluorophenyl)-3-[4-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]phenyl]oxetane-3-carboxamide
CID 138609145
N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide
CID 138609059
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-phenyloxetane-3-carboxamide
CID 154632266
3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide
CID 138609070
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609161
3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609149
N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide
CID 138609181
3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609114
N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide (CID 138609152) is N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide is CC(C)(O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide?
The InChIKey is TUOKYSKNBIAKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O3/c1-22(2,33)18-9-20(24(26,27)28)30-11-17(18)19-8-3-14(10-29-19)23(12-34-13-23)21(32)31-16-6-4-15(25)5-7-16/h3-11,33H,12-13H2,1-2H3,(H,31,32).
What are the key properties of N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide?
N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide has a molecular weight of 475.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide is sourced from PubChem (CID 138609152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).