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

C24H22N6O — CID 67416898

IUPACN-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3cc(-c4ccccc4C)nc23)ccc1-n1cnc(C)n1
InChIInChI=1S/C24H22N6O/c1-16-7-4-5-8-19(16)21-14-29-12-6-9-20(24(29)27-21)26-18-10-11-22(23(13-18)31-3)30-15-25-17(2)28-30/h4-15,26H,1-3H3
InChIKeyOVEXAMPEQRPTGX-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.95
Rot. Bonds5

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

N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 67416898) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID67416898
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC NameN-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3cc(-c4ccccc4C)nc23)ccc1-n1cnc(C)n1
InChIInChI=1S/C24H22N6O/c1-16-7-4-5-8-19(16)21-14-29-12-6-9-20(24(29)27-21)26-18-10-11-22(23(13-18)31-3)30-15-25-17(2)28-30/h4-15,26H,1-3H3
InChIKeyOVEXAMPEQRPTGX-UHFFFAOYSA-N
XLogP4.95
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine (CID 67416898) is N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine is COc1cc(Nc2cccn3cc(-c4ccccc4C)nc23)ccc1-n1cnc(C)n1.
What is the InChIKey of N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is OVEXAMPEQRPTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-16-7-4-5-8-19(16)21-14-29-12-6-9-20(24(29)27-21)26-18-10-11-22(23(13-18)31-3)30-15-25-17(2)28-30/h4-15,26H,1-3H3.
What are the key properties of N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine?
N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 410.48 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-(2-methylphenyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 67416898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).