N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine

C22H26N6 — CID 24889844

IUPACN-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCCc1cccc(C)c1CNc1cc(-c2ncnn2C)cn2c(C)c(C)nc12
InChIInChI=1S/C22H26N6/c1-6-17-9-7-8-14(2)19(17)11-23-20-10-18(21-24-13-25-27(21)5)12-28-16(4)15(3)26-22(20)28/h7-10,12-13,23H,6,11H2,1-5H3
InChIKeyIJGCNVPTZVEOMQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.23
Rot. Bonds5

About N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine

N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 24889844) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine
PubChem CID24889844
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCCc1cccc(C)c1CNc1cc(-c2ncnn2C)cn2c(C)c(C)nc12
InChIInChI=1S/C22H26N6/c1-6-17-9-7-8-14(2)19(17)11-23-20-10-18(21-24-13-25-27(21)5)12-28-16(4)15(3)26-22(20)28/h7-10,12-13,23H,6,11H2,1-5H3
InChIKeyIJGCNVPTZVEOMQ-UHFFFAOYSA-N
XLogP4.23
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine (CID 24889844) is N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine is CCc1cccc(C)c1CNc1cc(-c2ncnn2C)cn2c(C)c(C)nc12.
What is the InChIKey of N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is IJGCNVPTZVEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-6-17-9-7-8-14(2)19(17)11-23-20-10-18(21-24-13-25-27(21)5)12-28-16(4)15(3)26-22(20)28/h7-10,12-13,23H,6,11H2,1-5H3.
What are the key properties of N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine?
N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 374.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethyl-6-(2-methyl-1,2,4-triazol-3-yl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 24889844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).