2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline

C24H23N5O — CID 58547975

IUPAC2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
SMILESCc1cc(-c2nccnc2O[C@H]2CCCN(c3ccc4ccccc4n3)C2)ccn1
InChIInChI=1S/C24H23N5O/c1-17-15-19(10-11-25-17)23-24(27-13-12-26-23)30-20-6-4-14-29(16-20)22-9-8-18-5-2-3-7-21(18)28-22/h2-3,5,7-13,15,20H,4,6,14,16H2,1H3/t20-/m0/s1
InChIKeyGIDLITIRXWTASR-FQEVSTJZSA-N
MW397.48 g/mol
LogP4.44
Rot. Bonds4

About 2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline

2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline (PubChem CID 58547975) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
PubChem CID58547975
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
SMILESCc1cc(-c2nccnc2O[C@H]2CCCN(c3ccc4ccccc4n3)C2)ccn1
InChIInChI=1S/C24H23N5O/c1-17-15-19(10-11-25-17)23-24(27-13-12-26-23)30-20-6-4-14-29(16-20)22-9-8-18-5-2-3-7-21(18)28-22/h2-3,5,7-13,15,20H,4,6,14,16H2,1H3/t20-/m0/s1
InChIKeyGIDLITIRXWTASR-FQEVSTJZSA-N
XLogP4.44
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The IUPAC name of 2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline (CID 58547975) is 2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline.
What is the SMILES notation for 2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The canonical SMILES for 2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline is Cc1cc(-c2nccnc2O[C@H]2CCCN(c3ccc4ccccc4n3)C2)ccn1.
What is the InChIKey of 2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The InChIKey is GIDLITIRXWTASR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23N5O/c1-17-15-19(10-11-25-17)23-24(27-13-12-26-23)30-20-6-4-14-29(16-20)22-9-8-18-5-2-3-7-21(18)28-22/h2-3,5,7-13,15,20H,4,6,14,16H2,1H3/t20-/m0/s1.
What are the key properties of 2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline has a molecular weight of 397.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline is sourced from PubChem (CID 58547975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).