6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C21H20FN5O2 — CID 122510773

IUPAC6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCOCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2c1
InChIInChI=1S/C21H20FN5O2/c1-2-29-10-9-26-13-25-19(14-3-6-16(22)7-4-14)20(26)15-5-8-18-24-11-17(21(23)28)27(18)12-15/h3-8,11-13H,2,9-10H2,1H3,(H2,23,28)
InChIKeyWXWBBGDDJDOICH-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.14
Rot. Bonds7

About 6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510773) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510773
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCOCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2c1
InChIInChI=1S/C21H20FN5O2/c1-2-29-10-9-26-13-25-19(14-3-6-16(22)7-4-14)20(26)15-5-8-18-24-11-17(21(23)28)27(18)12-15/h3-8,11-13H,2,9-10H2,1H3,(H2,23,28)
InChIKeyWXWBBGDDJDOICH-UHFFFAOYSA-N
XLogP3.14
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510773) is 6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCOCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2c1.
What is the InChIKey of 6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WXWBBGDDJDOICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-2-29-10-9-26-13-25-19(14-3-6-16(22)7-4-14)20(26)15-5-8-18-24-11-17(21(23)28)27(18)12-15/h3-8,11-13H,2,9-10H2,1H3,(H2,23,28).
What are the key properties of 6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-ethoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).