2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol

C18H19F2N7O — CID 155047500

IUPAC2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
SMILESCN(c1cnc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1(F)F
InChIInChI=1S/C18H19F2N7O/c1-26(15-4-5-21-10-18(15,19)20)16-9-23-17(25-24-16)13-3-2-12(8-14(13)28)27-7-6-22-11-27/h2-3,6-9,11,15,21,28H,4-5,10H2,1H3
InChIKeyJEQFYLFYRKWMJH-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.86
Rot. Bonds4

About 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol

2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol (PubChem CID 155047500) has the molecular formula C18H19F2N7O and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
PubChem CID155047500
Molecular FormulaC18H19F2N7O
Molecular Weight387.39 g/mol
Exact Mass387.16
IUPAC Name2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
SMILESCN(c1cnc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1(F)F
InChIInChI=1S/C18H19F2N7O/c1-26(15-4-5-21-10-18(15,19)20)16-9-23-17(25-24-16)13-3-2-12(8-14(13)28)27-7-6-22-11-27/h2-3,6-9,11,15,21,28H,4-5,10H2,1H3
InChIKeyJEQFYLFYRKWMJH-UHFFFAOYSA-N
XLogP1.86
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol with MolForge

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Related Compounds

5-imidazol-1-yl-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-3-yl]phenol
CID 155047262
2-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166579919
2-[6-[[(2R,3R,6S)-2,6-difluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166580242
5-imidazol-1-yl-2-(6-pyrrolidin-3-ylsulfanyl-1,2,4-triazin-3-yl)phenol
CID 155047423
5-imidazol-1-yl-2-[6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethenyl]-1,2,4-triazin-3-yl]phenol
CID 155047259
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-[3-[methyl-[(3S)-pyrrolidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
CID 162777616
2-[6-[[(1R,2S,3S,5R)-6,6-difluoro-2-methoxy-8-azabicyclo[3.2.1]octan-3-yl]oxy]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166580513
2-[6-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166580605
2-[5-[[(7S)-4-azaspiro[2.5]octan-7-yl]-methylamino]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 155047615
2-[5-[4-azaspiro[2.5]octan-7-yl(methyl)amino]pyrazin-2-yl]-5-imidazol-1-ylphenol
CID 155047617
2-[6-[[(1S,2R,3R,5S,6R)-5-deuterio-2,6-difluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol
CID 166579901

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol (CID 155047500) is 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol is CN(c1cnc(-c2ccc(-n3ccnc3)cc2O)nn1)C1CCNCC1(F)F.
What is the InChIKey of 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol?
The InChIKey is JEQFYLFYRKWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-26(15-4-5-21-10-18(15,19)20)16-9-23-17(25-24-16)13-3-2-12(8-14(13)28)27-7-6-22-11-27/h2-3,6-9,11,15,21,28H,4-5,10H2,1H3.
What are the key properties of 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol?
2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol has a molecular weight of 387.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3,3-difluoropiperidin-4-yl)-methylamino]-1,2,4-triazin-3-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 155047500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).