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

C24H17Cl2N5O2 — CID 155254959

IUPACmethyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl
InChIInChI=1S/C24H17Cl2N5O2/c1-33-24(32)18-12-15(5-10-19(18)26)13-30-14-20(28-29-30)23-22(16-6-8-17(25)9-7-16)27-21-4-2-3-11-31(21)23/h2-12,14H,13H2,1H3
InChIKeyGUQKCGGERCNVIP-UHFFFAOYSA-N
MW478.34 g/mol
LogP5.40
Rot. Bonds5

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

methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate (PubChem CID 155254959) has the molecular formula C24H17Cl2N5O2 and a molecular weight of 478.34 g/mol. Its IUPAC name is methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate
PubChem CID155254959
Molecular FormulaC24H17Cl2N5O2
Molecular Weight478.34 g/mol
Exact Mass477.08
IUPAC Namemethyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl
InChIInChI=1S/C24H17Cl2N5O2/c1-33-24(32)18-12-15(5-10-19(18)26)13-30-14-20(28-29-30)23-22(16-6-8-17(25)9-7-16)27-21-4-2-3-11-31(21)23/h2-12,14H,13H2,1H3
InChIKeyGUQKCGGERCNVIP-UHFFFAOYSA-N
XLogP5.40
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.34
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate (CID 155254959) is methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate is COC(=O)c1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate?
The InChIKey is GUQKCGGERCNVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N5O2/c1-33-24(32)18-12-15(5-10-19(18)26)13-30-14-20(28-29-30)23-22(16-6-8-17(25)9-7-16)27-21-4-2-3-11-31(21)23/h2-12,14H,13H2,1H3.
What are the key properties of methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate?
methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate has a molecular weight of 478.34 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]benzoate is sourced from PubChem (CID 155254959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).