2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine

C22H13Cl2N7 — CID 71281303

IUPAC2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
SMILESClc1ccc(Cl)c(-c2nc3ccccn3c2-c2nncn2-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C22H13Cl2N7/c23-14-4-6-17(24)16(10-14)20-21(30-8-2-1-3-19(30)27-20)22-29-26-12-31(22)15-5-7-18-13(9-15)11-25-28-18/h1-12H,(H,25,28)
InChIKeyAYGMZEOLGWMSCE-UHFFFAOYSA-N
MW446.30 g/mol
LogP5.43
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine

2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 71281303) has the molecular formula C22H13Cl2N7 and a molecular weight of 446.30 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
PubChem CID71281303
Molecular FormulaC22H13Cl2N7
Molecular Weight446.30 g/mol
Exact Mass445.06
IUPAC Name2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
SMILESClc1ccc(Cl)c(-c2nc3ccccn3c2-c2nncn2-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C22H13Cl2N7/c23-14-4-6-17(24)16(10-14)20-21(30-8-2-1-3-19(30)27-20)22-29-26-12-31(22)15-5-7-18-13(9-15)11-25-28-18/h1-12H,(H,25,28)
InChIKeyAYGMZEOLGWMSCE-UHFFFAOYSA-N
XLogP5.43
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.30
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine (CID 71281303) is 2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine is Clc1ccc(Cl)c(-c2nc3ccccn3c2-c2nncn2-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is AYGMZEOLGWMSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2N7/c23-14-4-6-17(24)16(10-14)20-21(30-8-2-1-3-19(30)27-20)22-29-26-12-31(22)15-5-7-18-13(9-15)11-25-28-18/h1-12H,(H,25,28).
What are the key properties of 2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine?
2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 446.30 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-3-[4-(1H-indazol-5-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 71281303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).