[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

C20H20FN5O — CID 95819245

IUPAC[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN5O/c1-13-17(11-24-25-13)20(27)26-10-2-3-15(12-26)19-18(22-8-9-23-19)14-4-6-16(21)7-5-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyAUOTXTGXEZDPNW-HNNXBMFYSA-N
MW365.41 g/mol
LogP3.33
Rot. Bonds3

About [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 95819245) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID95819245
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN5O/c1-13-17(11-24-25-13)20(27)26-10-2-3-15(12-26)19-18(22-8-9-23-19)14-4-6-16(21)7-5-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyAUOTXTGXEZDPNW-HNNXBMFYSA-N
XLogP3.33
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95819254
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110091836
[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693
2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
CID 95818599
[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95810095
[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110249739
1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819071
2-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 110255043
[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255118
[(3R)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 92618135
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (CID 95819245) is [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is Cc1[nH]ncc1C(=O)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is AUOTXTGXEZDPNW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-13-17(11-24-25-13)20(27)26-10-2-3-15(12-26)19-18(22-8-9-23-19)14-4-6-16(21)7-5-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 95819245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).