3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole

C23H23N7O — CID 58547538

IUPAC3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C2)n1
InChIInChI=1S/C23H23N7O/c1-15-26-23(31-28-15)17-8-11-29(12-17)22-21(24-9-10-25-22)18-13-30(14-18)20-7-6-16-4-2-3-5-19(16)27-20/h2-7,9-10,17-18H,8,11-14H2,1H3
InChIKeyRDDOCSKWBRQNLI-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.31
Rot. Bonds4

About 3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 58547538) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID58547538
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C2)n1
InChIInChI=1S/C23H23N7O/c1-15-26-23(31-28-15)17-8-11-29(12-17)22-21(24-9-10-25-22)18-13-30(14-18)20-7-6-16-4-2-3-5-19(16)27-20/h2-7,9-10,17-18H,8,11-14H2,1H3
InChIKeyRDDOCSKWBRQNLI-UHFFFAOYSA-N
XLogP3.31
TPSA84.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 58547538) is 3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole is Cc1noc(C2CCN(c3nccnc3C3CN(c4ccc5ccccc5n4)C3)C2)n1.
What is the InChIKey of 3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is RDDOCSKWBRQNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-15-26-23(31-28-15)17-8-11-29(12-17)22-21(24-9-10-25-22)18-13-30(14-18)20-7-6-16-4-2-3-5-19(16)27-20/h2-7,9-10,17-18H,8,11-14H2,1H3.
What are the key properties of 3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 413.49 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 58547538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).