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

C21H15Cl2N5 — CID 137368780

IUPAC5-chloro-2-[[5-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C21H15Cl2N5/c1-12-5-6-14(15(22)9-12)17-3-2-4-20-24-13(11-28(17)20)10-19-25-16-7-8-18(23)26-21(16)27-19/h2-9,11H,10H2,1H3,(H,25,26,27)
InChIKeyMKMCVAUQLJLTCH-UHFFFAOYSA-N
MW408.29 g/mol
LogP5.48
Rot. Bonds3

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

5-chloro-2-[[5-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137368780) has the molecular formula C21H15Cl2N5 and a molecular weight of 408.29 g/mol. Its IUPAC name is 5-chloro-2-[[5-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[5-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID137368780
Molecular FormulaC21H15Cl2N5
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name5-chloro-2-[[5-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C21H15Cl2N5/c1-12-5-6-14(15(22)9-12)17-3-2-4-20-24-13(11-28(17)20)10-19-25-16-7-8-18(23)26-21(16)27-19/h2-9,11H,10H2,1H3,(H,25,26,27)
InChIKeyMKMCVAUQLJLTCH-UHFFFAOYSA-N
XLogP5.48
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.29
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylphenyl)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-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (CID 137368780) is 5-chloro-2-[[5-(2-chloro-4-methylphenyl)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-methylphenyl)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-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is Cc1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1.
What is the InChIKey of 5-chloro-2-[[5-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is MKMCVAUQLJLTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N5/c1-12-5-6-14(15(22)9-12)17-3-2-4-20-24-13(11-28(17)20)10-19-25-16-7-8-18(23)26-21(16)27-19/h2-9,11H,10H2,1H3,(H,25,26,27).
What are the key properties of 5-chloro-2-[[5-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
5-chloro-2-[[5-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 408.29 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[5-(2-chloro-4-methylphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137368780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).