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

C22H27ClN6O2 — CID 57095443

IUPAC[7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)C1(c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)N=CON1
InChIInChI=1S/C22H27ClN6O2/c1-14(2)22(25-13-31-26-22)18-19-21(3,4)29(20(30)27-9-5-6-10-27)17-11-15(23)7-8-16(17)28(19)12-24-18/h7-8,11-14,26H,5-6,9-10H2,1-4H3
InChIKeyWZEMVYPVYKJAIX-UHFFFAOYSA-N
MW442.95 g/mol
LogP4.17
Rot. Bonds2

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

[7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 57095443) has the molecular formula C22H27ClN6O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is [7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID57095443
Molecular FormulaC22H27ClN6O2
Molecular Weight442.95 g/mol
Exact Mass442.19
IUPAC Name[7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)C1(c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)N=CON1
InChIInChI=1S/C22H27ClN6O2/c1-14(2)22(25-13-31-26-22)18-19-21(3,4)29(20(30)27-9-5-6-10-27)17-11-15(23)7-8-16(17)28(19)12-24-18/h7-8,11-14,26H,5-6,9-10H2,1-4H3
InChIKeyWZEMVYPVYKJAIX-UHFFFAOYSA-N
XLogP4.17
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 57095443) is [7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is CC(C)C1(c2ncn3c2C(C)(C)N(C(=O)N2CCCC2)c2cc(Cl)ccc2-3)N=CON1.
What is the InChIKey of [7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WZEMVYPVYKJAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O2/c1-14(2)22(25-13-31-26-22)18-19-21(3,4)29(20(30)27-9-5-6-10-27)17-11-15(23)7-8-16(17)28(19)12-24-18/h7-8,11-14,26H,5-6,9-10H2,1-4H3.
What are the key properties of [7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 442.95 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-4,4-dimethyl-3-(3-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 57095443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).