[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C21H19FN4O — CID 95818958

IUPAC[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1
InChIInChI=1S/C21H19FN4O/c22-18-6-2-1-5-17(18)20-19(24-11-12-25-20)16-4-3-13-26(14-16)21(27)15-7-9-23-10-8-15/h1-2,5-12,16H,3-4,13-14H2/t16-/m0/s1
InChIKeySDNDRAGQCIMBRR-INIZCTEOSA-N
MW362.41 g/mol
LogP3.70
Rot. Bonds3

About [(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95818958) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is [(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID95818958
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1
InChIInChI=1S/C21H19FN4O/c22-18-6-2-1-5-17(18)20-19(24-11-12-25-20)16-4-3-13-26(14-16)21(27)15-7-9-23-10-8-15/h1-2,5-12,16H,3-4,13-14H2/t16-/m0/s1
InChIKeySDNDRAGQCIMBRR-INIZCTEOSA-N
XLogP3.70
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819329
2-(4-fluorophenyl)-1-[3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255072
1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819094
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693
3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819416
3-[3-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818963
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95818834
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine
CID 110255013

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 95818958) is [(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1.
What is the InChIKey of [(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is SDNDRAGQCIMBRR-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-18-6-2-1-5-17(18)20-19(24-11-12-25-20)16-4-3-13-26(14-16)21(27)15-7-9-23-10-8-15/h1-2,5-12,16H,3-4,13-14H2/t16-/m0/s1.
What are the key properties of [(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 362.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95818958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).