2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol

C21H22FN3O2 — CID 95210798

IUPAC2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol
SMILESCOc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2cc(C)ccc2O)c(F)c1
InChIInChI=1S/C21H22FN3O2/c1-13-3-6-19(26)14(9-13)11-25-8-7-18-20(24-12-23-18)21(25)16-5-4-15(27-2)10-17(16)22/h3-6,9-10,12,21,26H,7-8,11H2,1-2H3,(H,23,24)/t21-/m1/s1
InChIKeyVWROQESXKUMYRM-OAQYLSRUSA-N
MW367.42 g/mol
LogP3.72
Rot. Bonds4

About 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol

2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol (PubChem CID 95210798) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol
PubChem CID95210798
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol
SMILESCOc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2cc(C)ccc2O)c(F)c1
InChIInChI=1S/C21H22FN3O2/c1-13-3-6-19(26)14(9-13)11-25-8-7-18-20(24-12-23-18)21(25)16-5-4-15(27-2)10-17(16)22/h3-6,9-10,12,21,26H,7-8,11H2,1-2H3,(H,23,24)/t21-/m1/s1
InChIKeyVWROQESXKUMYRM-OAQYLSRUSA-N
XLogP3.72
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]acetate
CID 29137347
4-(2-chloro-4-fluorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56722473
methyl (2S)-2-[[4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-methylbutanoate
CID 42652902
methyl (2S)-2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-phenylpropanoate
CID 29137151
(4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95198936
3-[5-[(5-fluoro-2-methoxyphenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile
CID 56884989
2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
CID 56715566
2-[[(4R)-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 95212727
(4R)-5-[(6-methoxy-2H-chromen-3-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95191750
2-tert-butyl-6-[[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 95208575
4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-5-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56709470
2-tert-butyl-6-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56714643

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol?
The IUPAC name of 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol (CID 95210798) is 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol is COc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2cc(C)ccc2O)c(F)c1.
What is the InChIKey of 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol?
The InChIKey is VWROQESXKUMYRM-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13-3-6-19(26)14(9-13)11-25-8-7-18-20(24-12-23-18)21(25)16-5-4-15(27-2)10-17(16)22/h3-6,9-10,12,21,26H,7-8,11H2,1-2H3,(H,23,24)/t21-/m1/s1.
What are the key properties of 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol?
2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol has a molecular weight of 367.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-(2-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-4-methylphenol is sourced from PubChem (CID 95210798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).