2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol

C23H28N6O — CID 155047142

IUPAC2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol
SMILESCN(c1cnc(-c2ccc(-n3ccnc3)cc2O)cn1)C1C[C@]2(C)CC[C@](C)(C1)N2
InChIInChI=1S/C23H28N6O/c1-22-6-7-23(2,27-22)12-17(11-22)28(3)21-14-25-19(13-26-21)18-5-4-16(10-20(18)30)29-9-8-24-15-29/h4-5,8-10,13-15,17,27,30H,6-7,11-12H2,1-3H3/t17?,22-,23+
InChIKeyYVONOQVLPZQMEO-FKWVHYFSSA-N
MW404.52 g/mol
LogP3.53
Rot. Bonds4

About 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol

2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol (PubChem CID 155047142) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol
PubChem CID155047142
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol
SMILESCN(c1cnc(-c2ccc(-n3ccnc3)cc2O)cn1)C1C[C@]2(C)CC[C@](C)(C1)N2
InChIInChI=1S/C23H28N6O/c1-22-6-7-23(2,27-22)12-17(11-22)28(3)21-14-25-19(13-26-21)18-5-4-16(10-20(18)30)29-9-8-24-15-29/h4-5,8-10,13-15,17,27,30H,6-7,11-12H2,1-3H3/t17?,22-,23+
InChIKeyYVONOQVLPZQMEO-FKWVHYFSSA-N
XLogP3.53
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol 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 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol (CID 155047142) is 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol is CN(c1cnc(-c2ccc(-n3ccnc3)cc2O)cn1)C1C[C@]2(C)CC[C@](C)(C1)N2.
What is the InChIKey of 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The InChIKey is YVONOQVLPZQMEO-FKWVHYFSSA-N. The full InChI is InChI=1S/C23H28N6O/c1-22-6-7-23(2,27-22)12-17(11-22)28(3)21-14-25-19(13-26-21)18-5-4-16(10-20(18)30)29-9-8-24-15-29/h4-5,8-10,13-15,17,27,30H,6-7,11-12H2,1-3H3/t17?,22-,23+.
What are the key properties of 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol?
2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol has a molecular weight of 404.52 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 155047142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).