3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide

C23H18F5N3O2 — CID 138609070

IUPAC3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3cnc(C(F)(F)F)cc3CO)cn2)CC(F)C1
InChIInChI=1S/C23H18F5N3O2/c24-15-2-4-17(5-3-15)31-21(33)22(8-16(25)9-22)19-6-1-13(10-29-19)18-11-30-20(23(26,27)28)7-14(18)12-32/h1-7,10-11,16,32H,8-9,12H2,(H,31,33)
InChIKeyLUCYDBTYKAQVPY-UHFFFAOYSA-N
MW463.41 g/mol
LogP4.80
Rot. Bonds5

About 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide

3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide (PubChem CID 138609070) has the molecular formula C23H18F5N3O2 and a molecular weight of 463.41 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide
PubChem CID138609070
Molecular FormulaC23H18F5N3O2
Molecular Weight463.41 g/mol
Exact Mass463.13
IUPAC Name3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1(c2ccc(-c3cnc(C(F)(F)F)cc3CO)cn2)CC(F)C1
InChIInChI=1S/C23H18F5N3O2/c24-15-2-4-17(5-3-15)31-21(33)22(8-16(25)9-22)19-6-1-13(10-29-19)18-11-30-20(23(26,27)28)7-14(18)12-32/h1-7,10-11,16,32H,8-9,12H2,(H,31,33)
InChIKeyLUCYDBTYKAQVPY-UHFFFAOYSA-N
XLogP4.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide with MolForge

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Related Compounds

(4-fluorophenyl) 3-fluoro-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclobutane-1-carboxylate
CID 138631403
N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide
CID 138609059
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-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide
CID 159513799
1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 135178768
N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337884
1-(4-fluorophenyl)-3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]urea
CID 151255198
2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 133089726
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-(4-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
CID 126421332

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide (CID 138609070) is 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide is O=C(Nc1ccc(F)cc1)C1(c2ccc(-c3cnc(C(F)(F)F)cc3CO)cn2)CC(F)C1.
What is the InChIKey of 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide?
The InChIKey is LUCYDBTYKAQVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N3O2/c24-15-2-4-17(5-3-15)31-21(33)22(8-16(25)9-22)19-6-1-13(10-29-19)18-11-30-20(23(26,27)28)7-14(18)12-32/h1-7,10-11,16,32H,8-9,12H2,(H,31,33).
What are the key properties of 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide?
3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide has a molecular weight of 463.41 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluorophenyl)-1-[5-[4-(hydroxymethyl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 138609070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).