2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide

C22H17Cl3N4O3 — CID 44528390

IUPAC2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1ccc(-c2nc3cccnc3n2CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C22H17Cl3N4O3/c1-31-12-5-6-13(19(8-12)32-2)21-28-17-4-3-7-26-22(17)29(21)11-20(30)27-18-10-15(24)14(23)9-16(18)25/h3-10H,11H2,1-2H3,(H,27,30)
InChIKeyLGOBXVIXZGBMFU-UHFFFAOYSA-N
MW491.76 g/mol
LogP5.71
Rot. Bonds6

About 2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide

2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 44528390) has the molecular formula C22H17Cl3N4O3 and a molecular weight of 491.76 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID44528390
Molecular FormulaC22H17Cl3N4O3
Molecular Weight491.76 g/mol
Exact Mass490.04
IUPAC Name2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1ccc(-c2nc3cccnc3n2CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C22H17Cl3N4O3/c1-31-12-5-6-13(19(8-12)32-2)21-28-17-4-3-7-26-22(17)29(21)11-20(30)27-18-10-15(24)14(23)9-16(18)25/h3-10H,11H2,1-2H3,(H,27,30)
InChIKeyLGOBXVIXZGBMFU-UHFFFAOYSA-N
XLogP5.71
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.76
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide (CID 44528390) is 2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide is COc1ccc(-c2nc3cccnc3n2CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is LGOBXVIXZGBMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl3N4O3/c1-31-12-5-6-13(19(8-12)32-2)21-28-17-4-3-7-26-22(17)29(21)11-20(30)27-18-10-15(24)14(23)9-16(18)25/h3-10H,11H2,1-2H3,(H,27,30).
What are the key properties of 2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 491.76 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethoxyphenyl)imidazo[4,5-b]pyridin-3-yl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 44528390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).