2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol

C19H19N5O — CID 162390585

IUPAC2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
SMILESC=C(c1cnc(-c2ccc(-n3ccnc3)cc2O)cn1)C1CC(N)C1
InChIInChI=1S/C19H19N5O/c1-12(13-6-14(20)7-13)17-9-23-18(10-22-17)16-3-2-15(8-19(16)25)24-5-4-21-11-24/h2-5,8-11,13-14,25H,1,6-7,20H2
InChIKeyISMGDUCUPVESHF-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.79
Rot. Bonds4

About 2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol

2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol (PubChem CID 162390585) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
PubChem CID162390585
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
SMILESC=C(c1cnc(-c2ccc(-n3ccnc3)cc2O)cn1)C1CC(N)C1
InChIInChI=1S/C19H19N5O/c1-12(13-6-14(20)7-13)17-9-23-18(10-22-17)16-3-2-15(8-19(16)25)24-5-4-21-11-24/h2-5,8-11,13-14,25H,1,6-7,20H2
InChIKeyISMGDUCUPVESHF-UHFFFAOYSA-N
XLogP2.79
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[3-(1-cyclopentylethenyl)-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 166971761
5-imidazol-1-yl-2-[3-(1-piperidin-4-ylethenyl)-1,2,4-triazin-6-yl]phenol
CID 162777617
2-[6-(3-aminocyclobutyl)sulfanyl-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 162390595
5-imidazol-1-yl-2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethenyl]-1,2,4-triazin-3-yl]phenol
CID 155047259
2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 154677185
2-[3-[1-(3-azabicyclo[3.1.0]hexan-6-yl)ethenyl]-1,2,4-triazin-6-yl]-5-imidazol-1-ylphenol
CID 162777667
2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]sulfanyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 155047242
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-[[(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-[[(2S,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 167367824
5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol
CID 166973853

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol (CID 162390585) is 2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol is C=C(c1cnc(-c2ccc(-n3ccnc3)cc2O)cn1)C1CC(N)C1.
What is the InChIKey of 2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?
The InChIKey is ISMGDUCUPVESHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12(13-6-14(20)7-13)17-9-23-18(10-22-17)16-3-2-15(8-19(16)25)24-5-4-21-11-24/h2-5,8-11,13-14,25H,1,6-7,20H2.
What are the key properties of 2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?
2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol has a molecular weight of 333.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(3-aminocyclobutyl)ethenyl]pyrazin-2-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 162390585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).