N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide

C22H30N6O3 — CID 123304827

IUPACN-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide
SMILESCCC(C)(CCOC(C)(C)C)n1cc(C(=O)Nc2ccc3nc(C(C)=O)cn3c2)nn1
InChIInChI=1S/C22H30N6O3/c1-7-22(6,10-11-31-21(3,4)5)28-14-18(25-26-28)20(30)23-16-8-9-19-24-17(15(2)29)13-27(19)12-16/h8-9,12-14H,7,10-11H2,1-6H3,(H,23,30)
InChIKeyCJZZEYJPVYLINX-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.71
Rot. Bonds8

About N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide

N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide (PubChem CID 123304827) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide
PubChem CID123304827
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC NameN-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide
SMILESCCC(C)(CCOC(C)(C)C)n1cc(C(=O)Nc2ccc3nc(C(C)=O)cn3c2)nn1
InChIInChI=1S/C22H30N6O3/c1-7-22(6,10-11-31-21(3,4)5)28-14-18(25-26-28)20(30)23-16-8-9-19-24-17(15(2)29)13-27(19)12-16/h8-9,12-14H,7,10-11H2,1-6H3,(H,23,30)
InChIKeyCJZZEYJPVYLINX-UHFFFAOYSA-N
XLogP3.71
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
CID 130464672
N-(2-acetylindolizin-7-yl)-1-(3-methylheptan-3-yl)triazole-4-carboxamide
CID 91469244
6-acetyl-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 24771670
ethyl 6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 154664779
1-tert-butyl-N-(3,4-dipropoxyphenyl)triazole-4-carboxamide
CID 119046998
6-(2-hydroxypropan-2-yl)-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 68615391
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide
CID 58408594
N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 142291499
methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
CID 42536775
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
6-benzoyl-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 68615384
N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
CID 130464671

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide (CID 123304827) is N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide is CCC(C)(CCOC(C)(C)C)n1cc(C(=O)Nc2ccc3nc(C(C)=O)cn3c2)nn1.
What is the InChIKey of N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide?
The InChIKey is CJZZEYJPVYLINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3/c1-7-22(6,10-11-31-21(3,4)5)28-14-18(25-26-28)20(30)23-16-8-9-19-24-17(15(2)29)13-27(19)12-16/h8-9,12-14H,7,10-11H2,1-6H3,(H,23,30).
What are the key properties of N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide?
N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylimidazo[1,2-a]pyridin-6-yl)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 123304827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).