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

C21H24N6O2 — CID 54186227

IUPAC[(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1noc(-c2ncn3c2[C@H](C)N(C(=O)N2CCCC2)c2ccccc2-3)n1
InChIInChI=1S/C21H24N6O2/c1-13(2)19-23-20(29-24-19)17-18-14(3)27(21(28)25-10-6-7-11-25)16-9-5-4-8-15(16)26(18)12-22-17/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyPFHPHNSALOONFX-AWEZNQCLSA-N
MW392.46 g/mol
LogP4.14
Rot. Bonds2

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

[(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 54186227) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID54186227
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name[(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1noc(-c2ncn3c2[C@H](C)N(C(=O)N2CCCC2)c2ccccc2-3)n1
InChIInChI=1S/C21H24N6O2/c1-13(2)19-23-20(29-24-19)17-18-14(3)27(21(28)25-10-6-7-11-25)16-9-5-4-8-15(16)26(18)12-22-17/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyPFHPHNSALOONFX-AWEZNQCLSA-N
XLogP4.14
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-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 [(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone (CID 54186227) is [(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is CC(C)c1noc(-c2ncn3c2[C@H](C)N(C(=O)N2CCCC2)c2ccccc2-3)n1.
What is the InChIKey of [(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PFHPHNSALOONFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13(2)19-23-20(29-24-19)17-18-14(3)27(21(28)25-10-6-7-11-25)16-9-5-4-8-15(16)26(18)12-22-17/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of [(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone?
[(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 392.46 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 54186227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).