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

C21H14Cl3N5O — CID 137368582

IUPAC5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)cc1Cl
InChIInChI=1S/C21H14Cl3N5O/c1-30-17-8-12(13(22)9-14(17)23)16-3-2-4-20-25-11(10-29(16)20)7-19-26-15-5-6-18(24)27-21(15)28-19/h2-6,8-10H,7H2,1H3,(H,26,27,28)
InChIKeyXPIBCTLTVKAZLG-UHFFFAOYSA-N
MW458.74 g/mol
LogP5.83
Rot. Bonds4

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

5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137368582) has the molecular formula C21H14Cl3N5O and a molecular weight of 458.74 g/mol. Its IUPAC name is 5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID137368582
Molecular FormulaC21H14Cl3N5O
Molecular Weight458.74 g/mol
Exact Mass457.03
IUPAC Name5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)cc1Cl
InChIInChI=1S/C21H14Cl3N5O/c1-30-17-8-12(13(22)9-14(17)23)16-3-2-4-20-25-11(10-29(16)20)7-19-26-15-5-6-18(24)27-21(15)28-19/h2-6,8-10H,7H2,1H3,(H,26,27,28)
InChIKeyXPIBCTLTVKAZLG-UHFFFAOYSA-N
XLogP5.83
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.74
LogP ≤ 55.83
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-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (CID 137368582) is 5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is COc1cc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is XPIBCTLTVKAZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3N5O/c1-30-17-8-12(13(22)9-14(17)23)16-3-2-4-20-25-11(10-29(16)20)7-19-26-15-5-6-18(24)27-21(15)28-19/h2-6,8-10H,7H2,1H3,(H,26,27,28).
What are the key properties of 5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 458.74 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[5-(2,4-dichloro-5-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137368582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).