8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile

C21H24N6O2 — CID 146329469

IUPAC8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](C(=O)N2C[C@@H](N)C3(CC3)C2)O1
InChIInChI=1S/C21H24N6O2/c1-13-9-26(15-3-2-14(8-22)18-19(15)25-7-6-24-18)10-16(29-13)20(28)27-11-17(23)21(12-27)4-5-21/h2-3,6-7,13,16-17H,4-5,9-12,23H2,1H3/t13-,16-,17-/m1/s1
InChIKeySMSVFFWWGITLLF-KBRIMQKVSA-N
MW392.46 g/mol
LogP1.04
Rot. Bonds2

About 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile

8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile (PubChem CID 146329469) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
PubChem CID146329469
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](C(=O)N2C[C@@H](N)C3(CC3)C2)O1
InChIInChI=1S/C21H24N6O2/c1-13-9-26(15-3-2-14(8-22)18-19(15)25-7-6-24-18)10-16(29-13)20(28)27-11-17(23)21(12-27)4-5-21/h2-3,6-7,13,16-17H,4-5,9-12,23H2,1H3/t13-,16-,17-/m1/s1
InChIKeySMSVFFWWGITLLF-KBRIMQKVSA-N
XLogP1.04
TPSA108.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The IUPAC name of 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile (CID 146329469) is 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile.
What is the SMILES notation for 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The canonical SMILES for 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](C(=O)N2C[C@@H](N)C3(CC3)C2)O1.
What is the InChIKey of 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
The InChIKey is SMSVFFWWGITLLF-KBRIMQKVSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13-9-26(15-3-2-14(8-22)18-19(15)25-7-6-24-18)10-16(29-13)20(28)27-11-17(23)21(12-27)4-5-21/h2-3,6-7,13,16-17H,4-5,9-12,23H2,1H3/t13-,16-,17-/m1/s1.
What are the key properties of 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile?
8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R,6R)-2-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 146329469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).