[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

C20H19ClN6O2 — CID 10573649

IUPAC[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21
InChIInChI=1S/C20H19ClN6O2/c21-13-5-6-14-15(9-13)26(20(28)25-7-1-2-8-25)10-16-17(22-11-27(14)16)18-23-19(29-24-18)12-3-4-12/h5-6,9,11-12H,1-4,7-8,10H2
InChIKeySEAZDODEJJKZNG-UHFFFAOYSA-N
MW410.87 g/mol
LogP3.99
Rot. Bonds2

About [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone

[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 10573649) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID10573649
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21
InChIInChI=1S/C20H19ClN6O2/c21-13-5-6-14-15(9-13)26(20(28)25-7-1-2-8-25)10-16-17(22-11-27(14)16)18-23-19(29-24-18)12-3-4-12/h5-6,9,11-12H,1-4,7-8,10H2
InChIKeySEAZDODEJJKZNG-UHFFFAOYSA-N
XLogP3.99
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 10573649) is [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccc(Cl)cc21.
What is the InChIKey of [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SEAZDODEJJKZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c21-13-5-6-14-15(9-13)26(20(28)25-7-1-2-8-25)10-16-17(22-11-27(14)16)18-23-19(29-24-18)12-3-4-12/h5-6,9,11-12H,1-4,7-8,10H2.
What are the key properties of [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 410.87 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10573649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).