[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C20H17ClN4O2 — CID 95843678

IUPAC[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClN4O2/c21-14-6-8-15(9-7-14)27-19-13-22-12-17(24-19)18-5-3-11-25(18)20(26)16-4-1-2-10-23-16/h1-2,4,6-10,12-13,18H,3,5,11H2/t18-/m1/s1
InChIKeyUQGPKMNGMBHEFA-GOSISDBHSA-N
MW380.84 g/mol
LogP4.29
Rot. Bonds4

About [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 95843678) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID95843678
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClN4O2/c21-14-6-8-15(9-7-14)27-19-13-22-12-17(24-19)18-5-3-11-25(18)20(26)16-4-1-2-10-23-16/h1-2,4,6-10,12-13,18H,3,5,11H2/t18-/m1/s1
InChIKeyUQGPKMNGMBHEFA-GOSISDBHSA-N
XLogP4.29
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95843794
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95843583
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 95843939
[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110270237
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95843466
2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110256256
pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813329
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435
2-(dimethylamino)-1-[(2R)-2-[6-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95823088

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 95843678) is [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is UQGPKMNGMBHEFA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-14-6-8-15(9-7-14)27-19-13-22-12-17(24-19)18-5-3-11-25(18)20(26)16-4-1-2-10-23-16/h1-2,4,6-10,12-13,18H,3,5,11H2/t18-/m1/s1.
What are the key properties of [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 380.84 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 95843678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).