(2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one

C20H23N7O2 — CID 171632139

IUPAC(2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one
SMILESC[C@H](Nc1nnc(-c2nc3ccccc3nc2N)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H23N7O2/c1-12(18(28)27-10-8-20(6-7-20)9-11-27)22-19-26-25-17(29-19)15-16(21)24-14-5-3-2-4-13(14)23-15/h2-5,12H,6-11H2,1H3,(H2,21,24)(H,22,26)/t12-/m0/s1
InChIKeyKIFHULFKQTUCCL-LBPRGKRZSA-N
MW393.45 g/mol
LogP2.46
Rot. Bonds4

About (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one

(2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one (PubChem CID 171632139) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one
PubChem CID171632139
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name(2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one
SMILESC[C@H](Nc1nnc(-c2nc3ccccc3nc2N)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C20H23N7O2/c1-12(18(28)27-10-8-20(6-7-20)9-11-27)22-19-26-25-17(29-19)15-16(21)24-14-5-3-2-4-13(14)23-15/h2-5,12H,6-11H2,1H3,(H2,21,24)(H,22,26)/t12-/m0/s1
InChIKeyKIFHULFKQTUCCL-LBPRGKRZSA-N
XLogP2.46
TPSA123.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one?
The IUPAC name of (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one (CID 171632139) is (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one.
What is the SMILES notation for (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one?
The canonical SMILES for (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one is C[C@H](Nc1nnc(-c2nc3ccccc3nc2N)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one?
The InChIKey is KIFHULFKQTUCCL-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-12(18(28)27-10-8-20(6-7-20)9-11-27)22-19-26-25-17(29-19)15-16(21)24-14-5-3-2-4-13(14)23-15/h2-5,12H,6-11H2,1H3,(H2,21,24)(H,22,26)/t12-/m0/s1.
What are the key properties of (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one?
(2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one has a molecular weight of 393.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one is sourced from PubChem (CID 171632139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).