[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C20H18ClN5O2 — CID 95843794

IUPAC[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@@H]2c2cncc(Oc3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C20H18ClN5O2/c1-13-9-24-17(11-23-13)20(27)26-8-2-3-18(26)16-10-22-12-19(25-16)28-15-6-4-14(21)5-7-15/h4-7,9-12,18H,2-3,8H2,1H3/t18-/m1/s1
InChIKeyYFWBKNWWUJLHGC-GOSISDBHSA-N
MW395.85 g/mol
LogP4.00
Rot. Bonds4

About [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 95843794) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID95843794
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@@H]2c2cncc(Oc3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C20H18ClN5O2/c1-13-9-24-17(11-23-13)20(27)26-8-2-3-18(26)16-10-22-12-19(25-16)28-15-6-4-14(21)5-7-15/h4-7,9-12,18H,2-3,8H2,1H3/t18-/m1/s1
InChIKeyYFWBKNWWUJLHGC-GOSISDBHSA-N
XLogP4.00
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95843678
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 95843939
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95843583
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110270237
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
[(2R)-2-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92616047
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435
[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95843599
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 125005800
[(2R)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95830164
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 29357961

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 95843794) is [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC[C@@H]2c2cncc(Oc3ccc(Cl)cc3)n2)cn1.
What is the InChIKey of [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is YFWBKNWWUJLHGC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-13-9-24-17(11-23-13)20(27)26-8-2-3-18(26)16-10-22-12-19(25-16)28-15-6-4-14(21)5-7-15/h4-7,9-12,18H,2-3,8H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 395.85 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 95843794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).