N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide

C18H22N6O3 — CID 130464672

IUPACN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1
InChIInChI=1S/C18H22N6O3/c1-18(2,3)16(25)13-10-23-9-12(5-6-15(23)20-13)19-17(26)14-11-24(22-21-14)7-8-27-4/h5-6,9-11H,7-8H2,1-4H3,(H,19,26)
InChIKeyQNQMQHIPBMECGK-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide

N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide (PubChem CID 130464672) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
PubChem CID130464672
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1
InChIInChI=1S/C18H22N6O3/c1-18(2,3)16(25)13-10-23-9-12(5-6-15(23)20-13)19-17(26)14-11-24(22-21-14)7-8-27-4/h5-6,9-11H,7-8H2,1-4H3,(H,19,26)
InChIKeyQNQMQHIPBMECGK-UHFFFAOYSA-N
XLogP2.05
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2,2-dimethylpropanoyl)indolizin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
CID 130464671
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)-2H-triazol-1-ium-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
CID 158007366
N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-9-methoxy-1,2-dihydrobenzo[e]indole-3-carbonyl]imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide
CID 130464700
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
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
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-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 159878978
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 130468342
N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
CID 110439460
methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
CID 104601014
2,2,2-trifluoro-1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethanone
CID 104566929
methyl 4-[(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)amino]benzoate
CID 42536775

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide (CID 130464672) is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide is COCCn1cc(C(=O)Nc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
The InChIKey is QNQMQHIPBMECGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-18(2,3)16(25)13-10-23-9-12(5-6-15(23)20-13)19-17(26)14-11-24(22-21-14)7-8-27-4/h5-6,9-11H,7-8H2,1-4H3,(H,19,26).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide?
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-1-(2-methoxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 130464672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).