4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile

C15H12N4 — CID 63617952

IUPAC4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
SMILESCc1cccn2c(N)c(-c3ccc(C#N)cc3)nc12
InChIInChI=1S/C15H12N4/c1-10-3-2-8-19-14(17)13(18-15(10)19)12-6-4-11(9-16)5-7-12/h2-8H,17H2,1H3
InChIKeyYGLHYEGPDRSLBD-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.76
Rot. Bonds1

About 4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile

4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile (PubChem CID 63617952) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
PubChem CID63617952
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
SMILESCc1cccn2c(N)c(-c3ccc(C#N)cc3)nc12
InChIInChI=1S/C15H12N4/c1-10-3-2-8-19-14(17)13(18-15(10)19)12-6-4-11(9-16)5-7-12/h2-8H,17H2,1H3
InChIKeyYGLHYEGPDRSLBD-UHFFFAOYSA-N
XLogP2.76
TPSA67.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The IUPAC name of 4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile (CID 63617952) is 4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The canonical SMILES for 4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile is Cc1cccn2c(N)c(-c3ccc(C#N)cc3)nc12.
What is the InChIKey of 4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
The InChIKey is YGLHYEGPDRSLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-10-3-2-8-19-14(17)13(18-15(10)19)12-6-4-11(9-16)5-7-12/h2-8H,17H2,1H3.
What are the key properties of 4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile?
4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 63617952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).