6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

C20H13N5O — CID 122478626

IUPAC6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(=O)c1cccc(-c2ncccc2-c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C20H13N5O/c1-13(26)17-5-2-6-18(24-17)20-16(4-3-9-22-20)14-7-8-19-23-11-15(10-21)25(19)12-14/h2-9,11-12H,1H3
InChIKeyCALQJEAGYONNEX-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.53
Rot. Bonds3

About 6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 122478626) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID122478626
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(=O)c1cccc(-c2ncccc2-c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C20H13N5O/c1-13(26)17-5-2-6-18(24-17)20-16(4-3-9-22-20)14-7-8-19-23-11-15(10-21)25(19)12-14/h2-9,11-12H,1H3
InChIKeyCALQJEAGYONNEX-UHFFFAOYSA-N
XLogP3.53
TPSA83.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 122478626) is 6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is CC(=O)c1cccc(-c2ncccc2-c2ccc3ncc(C#N)n3c2)n1.
What is the InChIKey of 6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is CALQJEAGYONNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c1-13(26)17-5-2-6-18(24-17)20-16(4-3-9-22-20)14-7-8-19-23-11-15(10-21)25(19)12-14/h2-9,11-12H,1H3.
What are the key properties of 6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 339.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-acetyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 122478626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).