2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol

C23H29FN6O2 — CID 89444905

IUPAC2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol
SMILESCCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCO)CC1
InChIInChI=1S/C23H29FN6O2/c1-3-32-20-21(25)26-14-27-23(20)29-8-6-16(7-9-29)22-28-19(13-30(22)10-11-31)17-4-5-18(24)15(2)12-17/h4-5,12-14,16,31H,3,6-11H2,1-2H3,(H2,25,26,27)
InChIKeyZBAAWCIEXLKIOX-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.14
Rot. Bonds7

About 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol

2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol (PubChem CID 89444905) has the molecular formula C23H29FN6O2 and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol
PubChem CID89444905
Molecular FormulaC23H29FN6O2
Molecular Weight440.52 g/mol
Exact Mass440.23
IUPAC Name2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol
SMILESCCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCO)CC1
InChIInChI=1S/C23H29FN6O2/c1-3-32-20-21(25)26-14-27-23(20)29-8-6-16(7-9-29)22-28-19(13-30(22)10-11-31)17-4-5-18(24)15(2)12-17/h4-5,12-14,16,31H,3,6-11H2,1-2H3,(H2,25,26,27)
InChIKeyZBAAWCIEXLKIOX-UHFFFAOYSA-N
XLogP3.14
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 9800117
CID 9800117
CID 9885504
CID 9885504
CID 24746215
CID 24746215
CID 24887880
CID 24887880
CID 24887881
CID 24887881
CID 10525956
CID 10525956
CID 44269265
CID 44269265
CID 44336130
CID 44336130
CID 70695115
CID 70695115
CID 70697151
CID 70697151
CID 71586683
CID 71586683
CID 89442465
CID 89442465

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol (CID 89444905) is 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol is CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCO)CC1.
What is the InChIKey of 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol?
The InChIKey is ZBAAWCIEXLKIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O2/c1-3-32-20-21(25)26-14-27-23(20)29-8-6-16(7-9-29)22-28-19(13-30(22)10-11-31)17-4-5-18(24)15(2)12-17/h4-5,12-14,16,31H,3,6-11H2,1-2H3,(H2,25,26,27).
What are the key properties of 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol?
2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol has a molecular weight of 440.52 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(6-amino-5-ethoxypyrimidin-4-yl)piperidin-4-yl]-4-(4-fluoro-3-methylphenyl)imidazol-1-yl]ethanol is sourced from PubChem (CID 89444905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).