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

C19H18FN5O — CID 95819254

IUPAC[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN5O/c20-15-5-3-13(4-6-15)17-18(22-10-9-21-17)14-2-1-11-25(12-14)19(26)16-7-8-23-24-16/h3-10,14H,1-2,11-12H2,(H,23,24)/t14-/m0/s1
InChIKeyPORWQSUQIOIMTI-AWEZNQCLSA-N
MW351.38 g/mol
LogP3.03
Rot. Bonds3

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

[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 95819254) has the molecular formula C19H18FN5O and a molecular weight of 351.38 g/mol. Its IUPAC name is [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID95819254
Molecular FormulaC19H18FN5O
Molecular Weight351.38 g/mol
Exact Mass351.15
IUPAC Name[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN5O/c20-15-5-3-13(4-6-15)17-18(22-10-9-21-17)14-2-1-11-25(12-14)19(26)16-7-8-23-24-16/h3-10,14H,1-2,11-12H2,(H,23,24)/t14-/m0/s1
InChIKeyPORWQSUQIOIMTI-AWEZNQCLSA-N
XLogP3.03
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255118
[(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
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95819245
1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819071
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819091
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110255036
2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
CID 95818599
2-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 110255043
[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249747
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255005

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 95819254) is [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is PORWQSUQIOIMTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-15-5-3-13(4-6-15)17-18(22-10-9-21-17)14-2-1-11-25(12-14)19(26)16-7-8-23-24-16/h3-10,14H,1-2,11-12H2,(H,23,24)/t14-/m0/s1.
What are the key properties of [(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 351.38 g/mol, XLogP of 3.03, 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]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95819254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).