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

C21H12Cl2F3N5 — CID 137368727

IUPAC5-chloro-2-[[5-[2-chloro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C21H12Cl2F3N5/c22-14-8-11(21(24,25)26)4-5-13(14)16-2-1-3-19-27-12(10-31(16)19)9-18-28-15-6-7-17(23)29-20(15)30-18/h1-8,10H,9H2,(H,28,29,30)
InChIKeyNHTAZZHIRFHQRK-UHFFFAOYSA-N
MW462.26 g/mol
LogP6.19
Rot. Bonds3

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

5-chloro-2-[[5-[2-chloro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137368727) has the molecular formula C21H12Cl2F3N5 and a molecular weight of 462.26 g/mol. Its IUPAC name is 5-chloro-2-[[5-[2-chloro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[5-[2-chloro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID137368727
Molecular FormulaC21H12Cl2F3N5
Molecular Weight462.26 g/mol
Exact Mass461.04
IUPAC Name5-chloro-2-[[5-[2-chloro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
InChIInChI=1S/C21H12Cl2F3N5/c22-14-8-11(21(24,25)26)4-5-13(14)16-2-1-3-19-27-12(10-31(16)19)9-18-28-15-6-7-17(23)29-20(15)30-18/h1-8,10H,9H2,(H,28,29,30)
InChIKeyNHTAZZHIRFHQRK-UHFFFAOYSA-N
XLogP6.19
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.26
LogP ≤ 56.19
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-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (CID 137368727) is 5-chloro-2-[[5-[2-chloro-4-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1.
What is the InChIKey of 5-chloro-2-[[5-[2-chloro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is NHTAZZHIRFHQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F3N5/c22-14-8-11(21(24,25)26)4-5-13(14)16-2-1-3-19-27-12(10-31(16)19)9-18-28-15-6-7-17(23)29-20(15)30-18/h1-8,10H,9H2,(H,28,29,30).
What are the key properties of 5-chloro-2-[[5-[2-chloro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?
5-chloro-2-[[5-[2-chloro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 462.26 g/mol, XLogP of 6.19, 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-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137368727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).