5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide

C26H23ClN6O — CID 164792864

IUPAC5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide
SMILESCc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1C(=O)N(C)C
InChIInChI=1S/C26H23ClN6O/c1-17-7-8-18(14-21(17)26(34)31(2)3)15-32-16-22(29-30-32)25-24(19-9-11-20(27)12-10-19)28-23-6-4-5-13-33(23)25/h4-14,16H,15H2,1-3H3
InChIKeyGKLUHEJJLQQESX-UHFFFAOYSA-N
MW470.96 g/mol
LogP4.97
Rot. Bonds5

About 5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide

5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide (PubChem CID 164792864) has the molecular formula C26H23ClN6O and a molecular weight of 470.96 g/mol. Its IUPAC name is 5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide
PubChem CID164792864
Molecular FormulaC26H23ClN6O
Molecular Weight470.96 g/mol
Exact Mass470.16
IUPAC Name5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide
SMILESCc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1C(=O)N(C)C
InChIInChI=1S/C26H23ClN6O/c1-17-7-8-18(14-21(17)26(34)31(2)3)15-32-16-22(29-30-32)25-24(19-9-11-20(27)12-10-19)28-23-6-4-5-13-33(23)25/h4-14,16H,15H2,1-3H3
InChIKeyGKLUHEJJLQQESX-UHFFFAOYSA-N
XLogP4.97
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N-dimethylbenzamide
CID 155255038
methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate
CID 155254959
[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]methanol;3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;deuterio(fluoro)methane;methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate;oxolane
CID 164964296
4-[[4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]triazol-1-yl]methyl]benzonitrile
CID 155255077
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
CID 67029035
5-[[amino-[(Z)-2-amino-2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethenyl]amino]methyl]-2-chlorobenzoic acid;ethane
CID 155716229
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylbutanamide
CID 135020833
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
2-(4-chlorophenyl)-3-[5-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
CID 155254988
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-ethylbenzamide
CID 42881568

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide?
The IUPAC name of 5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide (CID 164792864) is 5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide?
The canonical SMILES for 5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide is Cc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1C(=O)N(C)C.
What is the InChIKey of 5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide?
The InChIKey is GKLUHEJJLQQESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O/c1-17-7-8-18(14-21(17)26(34)31(2)3)15-32-16-22(29-30-32)25-24(19-9-11-20(27)12-10-19)28-23-6-4-5-13-33(23)25/h4-14,16H,15H2,1-3H3.
What are the key properties of 5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide?
5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide has a molecular weight of 470.96 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 164792864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).