1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride

C21H21ClFN3O — CID 162101229

IUPAC1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride
SMILESCC(=O)c1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C21H20FN3O.ClH/c1-14(16-3-5-18(22)6-4-16)9-19-10-17(15(2)26)11-20(25-19)12-21-13-23-7-8-24-21;/h3-8,10-11,13-14H,9,12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyNZHYVMQXHHBOIV-PFEQFJNWSA-N
MW385.87 g/mol
LogP4.57
Rot. Bonds6

About 1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride

1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride (PubChem CID 162101229) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is 1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride
PubChem CID162101229
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC Name1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride
SMILESCC(=O)c1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C21H20FN3O.ClH/c1-14(16-3-5-18(22)6-4-16)9-19-10-17(15(2)26)11-20(25-19)12-21-13-23-7-8-24-21;/h3-8,10-11,13-14H,9,12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyNZHYVMQXHHBOIV-PFEQFJNWSA-N
XLogP4.57
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(4-fluorophenyl)propyl]-N-(2-methylpropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
CID 58521764
2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 58521790
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
CID 58521701
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]propanamide
CID 58521649
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine
CID 58521777
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrimidin-2-amine
CID 58521779
2-[[6-[(2R)-2-(4-fluorophenyl)propyl]-4-(1H-pyrazol-4-yl)-2-pyridinyl]methyl]pyrazine;methane;hydrochloride
CID 159656023
N-[2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 58521681
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-3-carboxamide
CID 58521688
2-[[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;hydrochloride
CID 159266398
(3S,4S)-1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 58521641
(Z)-but-2-enedioic acid;2-[(2R)-2-(4-fluorophenyl)propyl]-4-(pyrazin-2-ylmethyl)-6-(1H-pyrazol-4-yl)pyrimidine
CID 169424603

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride?
The IUPAC name of 1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride (CID 162101229) is 1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride is CC(=O)c1cc(Cc2cnccn2)nc(C[C@@H](C)c2ccc(F)cc2)c1.Cl.
What is the InChIKey of 1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride?
The InChIKey is NZHYVMQXHHBOIV-PFEQFJNWSA-N. The full InChI is InChI=1S/C21H20FN3O.ClH/c1-14(16-3-5-18(22)6-4-16)9-19-10-17(15(2)26)11-20(25-19)12-21-13-23-7-8-24-21;/h3-8,10-11,13-14H,9,12H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of 1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride?
1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride has a molecular weight of 385.87 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]ethanone;hydrochloride is sourced from PubChem (CID 162101229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).