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

C22H17Cl2N5O2 — CID 137368571

IUPAC5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(Cl)c(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)cc1OC
InChIInChI=1S/C22H17Cl2N5O2/c1-30-17-9-13(14(23)10-18(17)31-2)16-4-3-5-21-25-12(11-29(16)21)8-20-26-15-6-7-19(24)27-22(15)28-20/h3-7,9-11H,8H2,1-2H3,(H,26,27,28)
InChIKeyNRMDNEYEBUBFSW-UHFFFAOYSA-N
MW454.32 g/mol
LogP5.19
Rot. Bonds5

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

5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137368571) has the molecular formula C22H17Cl2N5O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is 5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID137368571
Molecular FormulaC22H17Cl2N5O2
Molecular Weight454.32 g/mol
Exact Mass453.08
IUPAC Name5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(Cl)c(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)cc1OC
InChIInChI=1S/C22H17Cl2N5O2/c1-30-17-9-13(14(23)10-18(17)31-2)16-4-3-5-21-25-12(11-29(16)21)8-20-26-15-6-7-19(24)27-22(15)28-20/h3-7,9-11H,8H2,1-2H3,(H,26,27,28)
InChIKeyNRMDNEYEBUBFSW-UHFFFAOYSA-N
XLogP5.19
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.32
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (CID 137368571) is 5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)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-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is COc1cc(Cl)c(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)cc1OC.
What is the InChIKey of 5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is NRMDNEYEBUBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2/c1-30-17-9-13(14(23)10-18(17)31-2)16-4-3-5-21-25-12(11-29(16)21)8-20-26-15-6-7-19(24)27-22(15)28-20/h3-7,9-11H,8H2,1-2H3,(H,26,27,28).
What are the key properties of 5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 454.32 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[5-(2-chloro-4,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137368571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).