2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine

C15H15F3N4O — CID 139001706

IUPAC2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine
SMILESFc1cccnc1OC1CCN(c2nccnc2C(F)F)CC1
InChIInChI=1S/C15H15F3N4O/c16-11-2-1-5-21-15(11)23-10-3-8-22(9-4-10)14-12(13(17)18)19-6-7-20-14/h1-2,5-7,10,13H,3-4,8-9H2
InChIKeyNYPQWFIWQBGCSN-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.00
Rot. Bonds4

About 2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine

2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine (PubChem CID 139001706) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine
PubChem CID139001706
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine
SMILESFc1cccnc1OC1CCN(c2nccnc2C(F)F)CC1
InChIInChI=1S/C15H15F3N4O/c16-11-2-1-5-21-15(11)23-10-3-8-22(9-4-10)14-12(13(17)18)19-6-7-20-14/h1-2,5-7,10,13H,3-4,8-9H2
InChIKeyNYPQWFIWQBGCSN-UHFFFAOYSA-N
XLogP3.00
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyloxy-3-fluoropyridine
CID 126955068
2-[2-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol
CID 175337425
[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(5-hydroxy-2-pyridinyl)methanone
CID 154846075
3-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
CID 94573941
3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 120849820
3-fluoro-2-pyrrolidin-3-yloxypyridine;hydrochloride
CID 86276895
3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 136537189
(2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanol
CID 156814816
(2-chlorophenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanol
CID 156815660
tert-butyl N-[(2S)-1-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 90803087
[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone
CID 139006441
5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
CID 72881279

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine?
The IUPAC name of 2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine (CID 139001706) is 2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine is Fc1cccnc1OC1CCN(c2nccnc2C(F)F)CC1.
What is the InChIKey of 2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine?
The InChIKey is NYPQWFIWQBGCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c16-11-2-1-5-21-15(11)23-10-3-8-22(9-4-10)14-12(13(17)18)19-6-7-20-14/h1-2,5-7,10,13H,3-4,8-9H2.
What are the key properties of 2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine?
2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine has a molecular weight of 324.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]pyrazine is sourced from PubChem (CID 139001706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).