5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine

C22H17Cl2N5O — CID 137368907

IUPAC5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C22H17Cl2N5O/c1-2-30-14-6-7-15(16(23)11-14)18-4-3-5-21-25-13(12-29(18)21)10-20-26-17-8-9-19(24)27-22(17)28-20/h3-9,11-12H,2,10H2,1H3,(H,26,27,28)
InChIKeyQADICWVRJIPQMX-UHFFFAOYSA-N
MW438.32 g/mol
LogP5.57
Rot. Bonds5

About 5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine

5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137368907) has the molecular formula C22H17Cl2N5O and a molecular weight of 438.32 g/mol. Its IUPAC name is 5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID137368907
Molecular FormulaC22H17Cl2N5O
Molecular Weight438.32 g/mol
Exact Mass437.08
IUPAC Name5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C22H17Cl2N5O/c1-2-30-14-6-7-15(16(23)11-14)18-4-3-5-21-25-13(12-29(18)21)10-20-26-17-8-9-19(24)27-22(17)28-20/h3-9,11-12H,2,10H2,1H3,(H,26,27,28)
InChIKeyQADICWVRJIPQMX-UHFFFAOYSA-N
XLogP5.57
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.32
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (CID 137368907) is 5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is CCOc1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1.
What is the InChIKey of 5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is QADICWVRJIPQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O/c1-2-30-14-6-7-15(16(23)11-14)18-4-3-5-21-25-13(12-29(18)21)10-20-26-17-8-9-19(24)27-22(17)28-20/h3-9,11-12H,2,10H2,1H3,(H,26,27,28).
What are the key properties of 5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 438.32 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[5-(2-chloro-4-ethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137368907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).