3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine

C24H19Cl2N5O — CID 155255076

IUPAC3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
SMILESCOCc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl
InChIInChI=1S/C24H19Cl2N5O/c1-32-15-18-12-16(5-10-20(18)26)13-30-14-21(28-29-30)24-23(17-6-8-19(25)9-7-17)27-22-4-2-3-11-31(22)24/h2-12,14H,13,15H2,1H3
InChIKeyCAPHSHOCGMQMCA-UHFFFAOYSA-N
MW464.36 g/mol
LogP5.76
Rot. Bonds6

About 3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine

3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine (PubChem CID 155255076) has the molecular formula C24H19Cl2N5O and a molecular weight of 464.36 g/mol. Its IUPAC name is 3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
PubChem CID155255076
Molecular FormulaC24H19Cl2N5O
Molecular Weight464.36 g/mol
Exact Mass463.10
IUPAC Name3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
SMILESCOCc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl
InChIInChI=1S/C24H19Cl2N5O/c1-32-15-18-12-16(5-10-20(18)26)13-30-14-21(28-29-30)24-23(17-6-8-19(25)9-7-17)27-22-4-2-3-11-31(22)24/h2-12,14H,13,15H2,1H3
InChIKeyCAPHSHOCGMQMCA-UHFFFAOYSA-N
XLogP5.76
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine (CID 155255076) is 3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine is COCc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl.
What is the InChIKey of 3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine?
The InChIKey is CAPHSHOCGMQMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N5O/c1-32-15-18-12-16(5-10-20(18)26)13-30-14-21(28-29-30)24-23(17-6-8-19(25)9-7-17)27-22-4-2-3-11-31(22)24/h2-12,14H,13,15H2,1H3.
What are the key properties of 3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine?
3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine has a molecular weight of 464.36 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-chloro-3-(methoxymethyl)phenyl]methyl]triazol-4-yl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 155255076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).