N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide

C24H20F5N3O3 — CID 138609059

IUPACN-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide
SMILESCC(C)(O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3F)COC2)nc1
InChIInChI=1S/C24H20F5N3O3/c1-22(2,34)16-8-20(24(27,28)29)31-10-15(16)13-3-6-19(30-9-13)23(11-35-12-23)21(33)32-18-5-4-14(25)7-17(18)26/h3-10,34H,11-12H2,1-2H3,(H,32,33)
InChIKeyJOIBVVUWEVNOFT-UHFFFAOYSA-N
MW493.43 g/mol
LogP4.57
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide

N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide (PubChem CID 138609059) has the molecular formula C24H20F5N3O3 and a molecular weight of 493.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide
PubChem CID138609059
Molecular FormulaC24H20F5N3O3
Molecular Weight493.43 g/mol
Exact Mass493.14
IUPAC NameN-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide
SMILESCC(C)(O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3F)COC2)nc1
InChIInChI=1S/C24H20F5N3O3/c1-22(2,34)16-8-20(24(27,28)29)31-10-15(16)13-3-6-19(30-9-13)23(11-35-12-23)21(33)32-18-5-4-14(25)7-17(18)26/h3-10,34H,11-12H2,1-2H3,(H,32,33)
InChIKeyJOIBVVUWEVNOFT-UHFFFAOYSA-N
XLogP4.57
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide
CID 138609152
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
3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide
CID 138609070
N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide
CID 138609143
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138631252
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
CID 154865208
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 90504714
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
(2R)-N-(2,4-difluorophenyl)-2,3,3,3-tetrafluoropropanamide
CID 2316423
N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580967

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide (CID 138609059) is N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide is CC(C)(O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3F)COC2)nc1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide?
The InChIKey is JOIBVVUWEVNOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F5N3O3/c1-22(2,34)16-8-20(24(27,28)29)31-10-15(16)13-3-6-19(30-9-13)23(11-35-12-23)21(33)32-18-5-4-14(25)7-17(18)26/h3-10,34H,11-12H2,1-2H3,(H,32,33).
What are the key properties of N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide?
N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide has a molecular weight of 493.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide is sourced from PubChem (CID 138609059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).