2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine

C16H21FN4 — CID 176706546

IUPAC2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine
SMILESCCc1[nH]c(-c2ccc(F)cn2)nc1C1CCNCC1C
InChIInChI=1S/C16H21FN4/c1-3-13-15(12-6-7-18-8-10(12)2)21-16(20-13)14-5-4-11(17)9-19-14/h4-5,9-10,12,18H,3,6-8H2,1-2H3,(H,20,21)
InChIKeyIFPSRTQXGMUECD-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.89
Rot. Bonds3

About 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine

2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine (PubChem CID 176706546) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine
PubChem CID176706546
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine
SMILESCCc1[nH]c(-c2ccc(F)cn2)nc1C1CCNCC1C
InChIInChI=1S/C16H21FN4/c1-3-13-15(12-6-7-18-8-10(12)2)21-16(20-13)14-5-4-11(17)9-19-14/h4-5,9-10,12,18H,3,6-8H2,1-2H3,(H,20,21)
InChIKeyIFPSRTQXGMUECD-UHFFFAOYSA-N
XLogP2.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine?
The IUPAC name of 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine (CID 176706546) is 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine?
The canonical SMILES for 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine is CCc1[nH]c(-c2ccc(F)cn2)nc1C1CCNCC1C.
What is the InChIKey of 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine?
The InChIKey is IFPSRTQXGMUECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-3-13-15(12-6-7-18-8-10(12)2)21-16(20-13)14-5-4-11(17)9-19-14/h4-5,9-10,12,18H,3,6-8H2,1-2H3,(H,20,21).
What are the key properties of 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine?
2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine has a molecular weight of 288.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-4-(3-methylpiperidin-4-yl)-1H-imidazol-2-yl]-5-fluoropyridine is sourced from PubChem (CID 176706546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).