N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C20H17F4N5O2 — CID 164869436

IUPACN-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1cnnc1[C@@H](F)[C@@]1(c2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CCO1
InChIInChI=1S/C20H17F4N5O2/c1-29-11-25-28-17(29)16(21)19(8-9-31-19)12-4-2-5-13(10-12)26-18(30)14-6-3-7-15(27-14)20(22,23)24/h2-7,10-11,16H,8-9H2,1H3,(H,26,30)/t16-,19+/m1/s1
InChIKeyLCFWYEVJVGYQMM-APWZRJJASA-N
MW435.38 g/mol
LogP3.81
Rot. Bonds5

About N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164869436) has the molecular formula C20H17F4N5O2 and a molecular weight of 435.38 g/mol. Its IUPAC name is N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164869436
Molecular FormulaC20H17F4N5O2
Molecular Weight435.38 g/mol
Exact Mass435.13
IUPAC NameN-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCn1cnnc1[C@@H](F)[C@@]1(c2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CCO1
InChIInChI=1S/C20H17F4N5O2/c1-29-11-25-28-17(29)16(21)19(8-9-31-19)12-4-2-5-13(10-12)26-18(30)14-6-3-7-15(27-14)20(22,23)24/h2-7,10-11,16H,8-9H2,1H3,(H,26,30)/t16-,19+/m1/s1
InChIKeyLCFWYEVJVGYQMM-APWZRJJASA-N
XLogP3.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

2-Cyclopropyl-6-methyl-N-[3-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]phenyl]-4-pyrimidinecarboxamide
CID 139350084
Cbl-b-IN-1
CID 139360969
6-cyclopropyl-4-[[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 155190798
6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139349590
N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 139349623
2-cyclopropyl-N-[3-[3-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-methylpyrimidine-4-carboxamide
CID 139349644
6-cyclopropyl-4-(difluoromethoxy)-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 139349712
6-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 139349813
6-cyclopropyl-4-methyl-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 139349858
6-cyclopropyl-4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyridine-2-carboxamide
CID 139349872
4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 139349881
2-cyclopropyl-N-[3-[3-[[4-(difluoromethyl)-1,2,4-triazol-3-yl]methyl]oxetan-3-yl]phenyl]-6-methylpyrimidine-4-carboxamide
CID 139350159

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164869436) is N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cn1cnnc1[C@@H](F)[C@@]1(c2cccc(NC(=O)c3cccc(C(F)(F)F)n3)c2)CCO1.
What is the InChIKey of N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LCFWYEVJVGYQMM-APWZRJJASA-N. The full InChI is InChI=1S/C20H17F4N5O2/c1-29-11-25-28-17(29)16(21)19(8-9-31-19)12-4-2-5-13(10-12)26-18(30)14-6-3-7-15(27-14)20(22,23)24/h2-7,10-11,16H,8-9H2,1H3,(H,26,30)/t16-,19+/m1/s1.
What are the key properties of N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164869436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).