[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C18H18ClFN4O — CID 136584811

IUPAC[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H18ClFN4O/c19-14-2-1-3-15(20)17(14)12-10-13(12)18(25)24-8-6-23(7-9-24)16-11-21-4-5-22-16/h1-5,11-13H,6-10H2/t12-,13-/m1/s1
InChIKeyVAZPOTJURGQWAP-CHWSQXEVSA-N
MW360.82 g/mol
LogP2.72
Rot. Bonds3

About [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 136584811) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID136584811
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC Name[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H18ClFN4O/c19-14-2-1-3-15(20)17(14)12-10-13(12)18(25)24-8-6-23(7-9-24)16-11-21-4-5-22-16/h1-5,11-13H,6-10H2/t12-,13-/m1/s1
InChIKeyVAZPOTJURGQWAP-CHWSQXEVSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid
CID 43810289
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546451
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638871
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chloro-6-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 120814129
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-chloro-6-fluorophenyl)cyclopropyl]methanone
CID 120803863
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-chloro-6-fluorophenyl)cyclopropyl]methanone
CID 119596306
(3-aminocyclopentyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 66009185
N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 5102783
(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 63713980
(5-chloropyrazin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 107244924

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 136584811) is [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCN(c2cnccn2)CC1.
What is the InChIKey of [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is VAZPOTJURGQWAP-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c19-14-2-1-3-15(20)17(14)12-10-13(12)18(25)24-8-6-23(7-9-24)16-11-21-4-5-22-16/h1-5,11-13H,6-10H2/t12-,13-/m1/s1.
What are the key properties of [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 360.82 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 136584811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).