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

C21H18FN5O — CID 122510796

IUPAC6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C21H18FN5O/c1-2-17(12-28)27-13-25-20(14-3-6-16(22)7-4-14)21(27)15-5-8-19-24-10-18(9-23)26(19)11-15/h3-8,10-11,13,17,28H,2,12H2,1H3
InChIKeyJSFIGRYGSXWRAP-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.82
Rot. Bonds5

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

6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 122510796) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID122510796
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C21H18FN5O/c1-2-17(12-28)27-13-25-20(14-3-6-16(22)7-4-14)21(27)15-5-8-19-24-10-18(9-23)26(19)11-15/h3-8,10-11,13,17,28H,2,12H2,1H3
InChIKeyJSFIGRYGSXWRAP-UHFFFAOYSA-N
XLogP3.82
TPSA79.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
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-carbonitrile?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 122510796) is 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is CCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C#N)n2c1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is JSFIGRYGSXWRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-2-17(12-28)27-13-25-20(14-3-6-16(22)7-4-14)21(27)15-5-8-19-24-10-18(9-23)26(19)11-15/h3-8,10-11,13,17,28H,2,12H2,1H3.
What are the key properties of 6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[5-(4-fluorophenyl)-3-(1-hydroxybutan-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 375.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 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-carbonitrile is sourced from PubChem (CID 122510796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).