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

C21H20FN5O2 — CID 122510400

IUPAC6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2c1
InChIInChI=1S/C21H20FN5O2/c1-2-16(11-28)27-12-25-19(13-3-6-15(22)7-4-13)20(27)14-5-8-18-24-9-17(21(23)29)26(18)10-14/h3-10,12,16,28H,2,11H2,1H3,(H2,23,29)
InChIKeyFOWZNNSTDFRSKJ-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.05
Rot. Bonds6

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

6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510400) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510400
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2c1
InChIInChI=1S/C21H20FN5O2/c1-2-16(11-28)27-12-25-19(13-3-6-15(22)7-4-13)20(27)14-5-8-18-24-9-17(21(23)29)26(18)10-14/h3-10,12,16,28H,2,11H2,1H3,(H2,23,29)
InChIKeyFOWZNNSTDFRSKJ-UHFFFAOYSA-N
XLogP3.05
TPSA98.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510400) is 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2c1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FOWZNNSTDFRSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-2-16(11-28)27-12-25-19(13-3-6-15(22)7-4-13)20(27)14-5-8-18-24-9-17(21(23)29)26(18)10-14/h3-10,12,16,28H,2,11H2,1H3,(H2,23,29).
What are the key properties of 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).