6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

C16H13FN4O — CID 86730382

IUPAC6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(O)c1cncc(-c2nc3ccc(F)cn3c2C#N)c1
InChIInChI=1S/C16H13FN4O/c1-16(2,22)11-5-10(7-19-8-11)15-13(6-18)21-9-12(17)3-4-14(21)20-15/h3-5,7-9,22H,1-2H3
InChIKeyHXRSZFIDZQFKNI-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.63
Rot. Bonds2

About 6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 86730382) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID86730382
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(O)c1cncc(-c2nc3ccc(F)cn3c2C#N)c1
InChIInChI=1S/C16H13FN4O/c1-16(2,22)11-5-10(7-19-8-11)15-13(6-18)21-9-12(17)3-4-14(21)20-15/h3-5,7-9,22H,1-2H3
InChIKeyHXRSZFIDZQFKNI-UHFFFAOYSA-N
XLogP2.63
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 86730382) is 6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is CC(C)(O)c1cncc(-c2nc3ccc(F)cn3c2C#N)c1.
What is the InChIKey of 6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is HXRSZFIDZQFKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-16(2,22)11-5-10(7-19-8-11)15-13(6-18)21-9-12(17)3-4-14(21)20-15/h3-5,7-9,22H,1-2H3.
What are the key properties of 6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 296.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 86730382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).