[1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol

C21H24N6O — CID 24889679

IUPAC[1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol
SMILESCc1cccc(C)c1CNc1cc(-n2cnc(CO)n2)cn2c(C)c(C)nc12
InChIInChI=1S/C21H24N6O/c1-13-6-5-7-14(2)18(13)9-22-19-8-17(27-12-23-20(11-28)25-27)10-26-16(4)15(3)24-21(19)26/h5-8,10,12,22,28H,9,11H2,1-4H3
InChIKeyYUXJYSUSUASGKW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.25
Rot. Bonds5

About [1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol

[1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol (PubChem CID 24889679) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol
PubChem CID24889679
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol
SMILESCc1cccc(C)c1CNc1cc(-n2cnc(CO)n2)cn2c(C)c(C)nc12
InChIInChI=1S/C21H24N6O/c1-13-6-5-7-14(2)18(13)9-22-19-8-17(27-12-23-20(11-28)25-27)10-26-16(4)15(3)24-21(19)26/h5-8,10,12,22,28H,9,11H2,1-4H3
InChIKeyYUXJYSUSUASGKW-UHFFFAOYSA-N
XLogP3.25
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol (CID 24889679) is [1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol is Cc1cccc(C)c1CNc1cc(-n2cnc(CO)n2)cn2c(C)c(C)nc12.
What is the InChIKey of [1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is YUXJYSUSUASGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13-6-5-7-14(2)18(13)9-22-19-8-17(27-12-23-20(11-28)25-27)10-26-16(4)15(3)24-21(19)26/h5-8,10,12,22,28H,9,11H2,1-4H3.
What are the key properties of [1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol?
[1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 376.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 24889679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).