2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one

C24H33N5O2 — CID 23555270

IUPAC2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one
SMILESC[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2cncc(N)n2)Oc2ccccc21
InChIInChI=1S/C24H33N5O2/c1-17-9-8-10-18(2)28(17)13-6-3-7-14-29-20-11-4-5-12-21(20)31-23(24(29)30)19-15-26-16-22(25)27-19/h4-5,11-12,15-18,23H,3,6-10,13-14H2,1-2H3,(H2,25,27)/t17-,18+,23?
InChIKeyRGTXGMUIDURXFE-NHJWOMDBSA-N
MW423.56 g/mol
LogP3.96
Rot. Bonds7

About 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one

2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one (PubChem CID 23555270) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one
PubChem CID23555270
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one
SMILESC[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2cncc(N)n2)Oc2ccccc21
InChIInChI=1S/C24H33N5O2/c1-17-9-8-10-18(2)28(17)13-6-3-7-14-29-20-11-4-5-12-21(20)31-23(24(29)30)19-15-26-16-22(25)27-19/h4-5,11-12,15-18,23H,3,6-10,13-14H2,1-2H3,(H2,25,27)/t17-,18+,23?
InChIKeyRGTXGMUIDURXFE-NHJWOMDBSA-N
XLogP3.96
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-amino-3-pyridinyl)-4-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one
CID 23555267
4-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]-2-phenyl-1,4-benzoxazin-3-one
CID 10740121
2-(3,4-dichlorophenyl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one
CID 10743171
2-[4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]-1,3-oxazole-5-carboximidamide
CID 23555259
3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]-N'-hydroxybenzenecarboximidamide
CID 18675052
3-[4-[6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]hexyl]-3-oxo-1,4-benzoxazin-2-yl]benzonitrile
CID 10551331
3-[4-[6-(2,6-dimethylpiperidin-1-yl)hexyl]-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide
CID 18675298
4-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]-2-(3-ethanimidoylphenyl)-1,4-benzoxazin-3-one
CID 59104535
[(Z)-[amino-[3-[4-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]phenyl]methylidene]amino] 2,2,2-trifluoroacetate
CID 10745453
3-[4-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]-3-oxo-1,4-benzoxazin-2-yl]-4-phenylmethoxybenzonitrile
CID 59033335
3-(6-amino-2-pyridinyl)-1-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]quinolin-2-one
CID 57191781
3-[4-[5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentyl]-6-nitro-3-oxo-1,4-benzoxazin-2-yl]benzenecarboximidamide
CID 23555311

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one?
The IUPAC name of 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one (CID 23555270) is 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one is C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2cncc(N)n2)Oc2ccccc21.
What is the InChIKey of 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one?
The InChIKey is RGTXGMUIDURXFE-NHJWOMDBSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-17-9-8-10-18(2)28(17)13-6-3-7-14-29-20-11-4-5-12-21(20)31-23(24(29)30)19-15-26-16-22(25)27-19/h4-5,11-12,15-18,23H,3,6-10,13-14H2,1-2H3,(H2,25,27)/t17-,18+,23?.
What are the key properties of 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one?
2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one has a molecular weight of 423.56 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopyrazin-2-yl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 23555270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).