[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

C20H17ClN4O2 — CID 95843583

IUPAC[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClN4O2/c21-15-5-7-16(8-6-15)27-19-13-23-12-17(24-19)18-4-2-10-25(18)20(26)14-3-1-9-22-11-14/h1,3,5-9,11-13,18H,2,4,10H2/t18-/m0/s1
InChIKeyIBMGYMAPHWRGGX-SFHVURJKSA-N
MW380.84 g/mol
LogP4.29
Rot. Bonds4

About [(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95843583) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is [(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95843583
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClN4O2/c21-15-5-7-16(8-6-15)27-19-13-23-12-17(24-19)18-4-2-10-25(18)20(26)14-3-1-9-22-11-14/h1,3,5-9,11-13,18H,2,4,10H2/t18-/m0/s1
InChIKeyIBMGYMAPHWRGGX-SFHVURJKSA-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]-pyridin-2-ylmethanone
CID 95843678
[(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]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 95843939
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099796
[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95845020
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95818042
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 43060389
[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110270237
2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110256256
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 95843583) is [(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of [(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is IBMGYMAPHWRGGX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-15-5-7-16(8-6-15)27-19-13-23-12-17(24-19)18-4-2-10-25(18)20(26)14-3-1-9-22-11-14/h1,3,5-9,11-13,18H,2,4,10H2/t18-/m0/s1.
What are the key properties of [(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-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 [(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95843583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).