2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile

C21H19FN6O3 — CID 144616252

IUPAC2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile
SMILESCOc1c(C#N)ccnc1O[C@@H]1CCCN(C(=O)c2c(F)cccc2-n2nccn2)C1
InChIInChI=1S/C21H19FN6O3/c1-30-19-14(12-23)7-8-24-20(19)31-15-4-3-11-27(13-15)21(29)18-16(22)5-2-6-17(18)28-25-9-10-26-28/h2,5-10,15H,3-4,11,13H2,1H3/t15-/m1/s1
InChIKeyCDAUVIRYXUDIJN-OAHLLOKOSA-N
MW422.42 g/mol
LogP2.37
Rot. Bonds5

About 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile

2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile (PubChem CID 144616252) has the molecular formula C21H19FN6O3 and a molecular weight of 422.42 g/mol. Its IUPAC name is 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile
PubChem CID144616252
Molecular FormulaC21H19FN6O3
Molecular Weight422.42 g/mol
Exact Mass422.15
IUPAC Name2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile
SMILESCOc1c(C#N)ccnc1O[C@@H]1CCCN(C(=O)c2c(F)cccc2-n2nccn2)C1
InChIInChI=1S/C21H19FN6O3/c1-30-19-14(12-23)7-8-24-20(19)31-15-4-3-11-27(13-15)21(29)18-16(22)5-2-6-17(18)28-25-9-10-26-28/h2,5-10,15H,3-4,11,13H2,1H3/t15-/m1/s1
InChIKeyCDAUVIRYXUDIJN-OAHLLOKOSA-N
XLogP2.37
TPSA106.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile with MolForge

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Related Compounds

4-methylsulfanyl-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 144651700
[3-[(4-amino-3-methoxy-2-pyridinyl)oxy]piperidin-1-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
CID 123984776
3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222164
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144651679
(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 145108171
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 130394208
[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103733511
methyl 4-methyl-2-[(3R)-1-[6-(triazol-2-yl)cyclohexa-1,5-dien-3-yne-1-carbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144610227

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile?
The IUPAC name of 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile (CID 144616252) is 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile is COc1c(C#N)ccnc1O[C@@H]1CCCN(C(=O)c2c(F)cccc2-n2nccn2)C1.
What is the InChIKey of 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile?
The InChIKey is CDAUVIRYXUDIJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19FN6O3/c1-30-19-14(12-23)7-8-24-20(19)31-15-4-3-11-27(13-15)21(29)18-16(22)5-2-6-17(18)28-25-9-10-26-28/h2,5-10,15H,3-4,11,13H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile?
2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile has a molecular weight of 422.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-fluoro-6-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-3-methoxypyridine-4-carbonitrile is sourced from PubChem (CID 144616252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).