2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol

C21H24N6O — CID 155047615

IUPAC2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol
SMILESCN(c1cnc(-c2ccc(-n3ccnc3)cc2O)cn1)[C@H]1CCNC2(CC2)C1
InChIInChI=1S/C21H24N6O/c1-26(16-4-7-25-21(11-16)5-6-21)20-13-23-18(12-24-20)17-3-2-15(10-19(17)28)27-9-8-22-14-27/h2-3,8-10,12-14,16,25,28H,4-7,11H2,1H3/t16-/m0/s1
InChIKeyKFTACIZBGMKCTE-INIZCTEOSA-N
MW376.46 g/mol
LogP2.76
Rot. Bonds4

About 2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol

2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol (PubChem CID 155047615) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol
PubChem CID155047615
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol
SMILESCN(c1cnc(-c2ccc(-n3ccnc3)cc2O)cn1)[C@H]1CCNC2(CC2)C1
InChIInChI=1S/C21H24N6O/c1-26(16-4-7-25-21(11-16)5-6-21)20-13-23-18(12-24-20)17-3-2-15(10-19(17)28)27-9-8-22-14-27/h2-3,8-10,12-14,16,25,28H,4-7,11H2,1H3/t16-/m0/s1
InChIKeyKFTACIZBGMKCTE-INIZCTEOSA-N
XLogP2.76
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[4-azaspiro[2.5]octan-7-yl(methyl)amino]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 155047617
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
2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]sulfanyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 155047242
5-imidazol-1-yl-2-[3-[methyl(piperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 162777580
5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol
CID 155047262
5-imidazol-1-yl-2-[3-[methyl-[(3S)-pyrrolidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 162777616
2-[6-[[(1R,5S)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-imidazol-1-ylphenol
CID 155025616
2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]-5-(triazol-2-yl)phenol;dihydrochloride
CID 139535347
2-[5-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 167368432
2-[5-[1-[(1S,2R,3S,5R)-2-fluoro-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 154677028
5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
CID 162777617
2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 155047500

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol (CID 155047615) is 2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol is CN(c1cnc(-c2ccc(-n3ccnc3)cc2O)cn1)[C@H]1CCNC2(CC2)C1.
What is the InChIKey of 2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The InChIKey is KFTACIZBGMKCTE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(16-4-7-25-21(11-16)5-6-21)20-13-23-18(12-24-20)17-3-2-15(10-19(17)28)27-9-8-22-14-27/h2-3,8-10,12-14,16,25,28H,4-7,11H2,1H3/t16-/m0/s1.
What are the key properties of 2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol?
2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol has a molecular weight of 376.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 155047615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).