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

C24H19ClN6O — CID 155254986

IUPACN-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1
InChIInChI=1S/C24H19ClN6O/c1-16(32)26-20-11-5-17(6-12-20)14-30-15-21(28-29-30)24-23(18-7-9-19(25)10-8-18)27-22-4-2-3-13-31(22)24/h2-13,15H,14H2,1H3,(H,26,32)
InChIKeyJBQDLYHBUPXQRU-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.92
Rot. Bonds5

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

N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide (PubChem CID 155254986) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide
PubChem CID155254986
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC NameN-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1
InChIInChI=1S/C24H19ClN6O/c1-16(32)26-20-11-5-17(6-12-20)14-30-15-21(28-29-30)24-23(18-7-9-19(25)10-8-18)27-22-4-2-3-13-31(22)24/h2-13,15H,14H2,1H3,(H,26,32)
InChIKeyJBQDLYHBUPXQRU-UHFFFAOYSA-N
XLogP4.92
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Saripidem
CID 3058746
2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenyl-acetamide
CID 11328255
2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide
CID 156027237
4-[2-(4-Chlorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745380
(4-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24745529
2-(4-chlorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53319647
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
5-amino-N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063225
N-[3-(5-chloro-2-cyclopropylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851323
7-[(3-Chlorophenyl)methyl]-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129116708
N-Benzyl-2-[6,8-dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-acetamide
CID 11442517
3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3804160

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide (CID 155254986) is N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)cc1.
What is the InChIKey of N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide?
The InChIKey is JBQDLYHBUPXQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c1-16(32)26-20-11-5-17(6-12-20)14-30-15-21(28-29-30)24-23(18-7-9-19(25)10-8-18)27-22-4-2-3-13-31(22)24/h2-13,15H,14H2,1H3,(H,26,32).
What are the key properties of N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide has a molecular weight of 442.91 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 155254986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).