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

C23H20N6 — CID 67414654

IUPAC2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCc1ncn(-c2ccc(Nc3cccn4cc(-c5ccccc5C)nc34)cc2)n1
InChIInChI=1S/C23H20N6/c1-16-6-3-4-7-20(16)22-14-28-13-5-8-21(23(28)26-22)25-18-9-11-19(12-10-18)29-15-24-17(2)27-29/h3-15,25H,1-2H3
InChIKeyMLDQTFWZEOMHRO-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.94
Rot. Bonds4

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

2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 67414654) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID67414654
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCc1ncn(-c2ccc(Nc3cccn4cc(-c5ccccc5C)nc34)cc2)n1
InChIInChI=1S/C23H20N6/c1-16-6-3-4-7-20(16)22-14-28-13-5-8-21(23(28)26-22)25-18-9-11-19(12-10-18)29-15-24-17(2)27-29/h3-15,25H,1-2H3
InChIKeyMLDQTFWZEOMHRO-UHFFFAOYSA-N
XLogP4.94
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine (CID 67414654) is 2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine is Cc1ncn(-c2ccc(Nc3cccn4cc(-c5ccccc5C)nc34)cc2)n1.
What is the InChIKey of 2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is MLDQTFWZEOMHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-16-6-3-4-7-20(16)22-14-28-13-5-8-21(23(28)26-22)25-18-9-11-19(12-10-18)29-15-24-17(2)27-29/h3-15,25H,1-2H3.
What are the key properties of 2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 380.46 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 67414654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).