6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

C19H11Cl3N6O — CID 126842634

IUPAC6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc(-c2cn3cccc(COc4nnc5ccc(Cl)nn45)c3n2)c(Cl)c1
InChIInChI=1S/C19H11Cl3N6O/c20-12-3-4-13(14(21)8-12)15-9-27-7-1-2-11(18(27)23-15)10-29-19-25-24-17-6-5-16(22)26-28(17)19/h1-9H,10H2
InChIKeyQJQFWXRUJUNRHW-UHFFFAOYSA-N
MW445.70 g/mol
LogP4.98
Rot. Bonds4

About 6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126842634) has the molecular formula C19H11Cl3N6O and a molecular weight of 445.70 g/mol. Its IUPAC name is 6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126842634
Molecular FormulaC19H11Cl3N6O
Molecular Weight445.70 g/mol
Exact Mass444.01
IUPAC Name6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc(-c2cn3cccc(COc4nnc5ccc(Cl)nn45)c3n2)c(Cl)c1
InChIInChI=1S/C19H11Cl3N6O/c20-12-3-4-13(14(21)8-12)15-9-27-7-1-2-11(18(27)23-15)10-29-19-25-24-17-6-5-16(22)26-28(17)19/h1-9H,10H2
InChIKeyQJQFWXRUJUNRHW-UHFFFAOYSA-N
XLogP4.98
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.70
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126842634) is 6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc(-c2cn3cccc(COc4nnc5ccc(Cl)nn45)c3n2)c(Cl)c1.
What is the InChIKey of 6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is QJQFWXRUJUNRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3N6O/c20-12-3-4-13(14(21)8-12)15-9-27-7-1-2-11(18(27)23-15)10-29-19-25-24-17-6-5-16(22)26-28(17)19/h1-9H,10H2.
What are the key properties of 6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 445.70 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126842634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).