N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

C22H22N4 — CID 809365

IUPACN-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3ccccn3)nc2c1
InChIInChI=1S/C22H22N4/c1-14-12-17(4)26-19(13-14)24-21(18-10-5-6-11-23-18)22(26)25-20-15(2)8-7-9-16(20)3/h5-13,25H,1-4H3
InChIKeyNYCPSKKTIVMRBU-UHFFFAOYSA-N
MW342.45 g/mol
LogP5.37
Rot. Bonds3

About N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine

N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 809365) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID809365
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC NameN-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3ccccn3)nc2c1
InChIInChI=1S/C22H22N4/c1-14-12-17(4)26-19(13-14)24-21(18-10-5-6-11-23-18)22(26)25-20-15(2)8-7-9-16(20)3/h5-13,25H,1-4H3
InChIKeyNYCPSKKTIVMRBU-UHFFFAOYSA-N
XLogP5.37
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine (CID 809365) is N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is Cc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3ccccn3)nc2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is NYCPSKKTIVMRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-14-12-17(4)26-19(13-14)24-21(18-10-5-6-11-23-18)22(26)25-20-15(2)8-7-9-16(20)3/h5-13,25H,1-4H3.
What are the key properties of N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine?
N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 342.45 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 809365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).