6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline

C24H14Cl2N6 — CID 71281194

IUPAC6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline
SMILESClc1ccc(Cl)c(-c2nc3ccccn3c2-c2nncn2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C24H14Cl2N6/c25-16-6-8-19(26)18(13-16)22-23(31-11-2-1-5-21(31)29-22)24-30-28-14-32(24)17-7-9-20-15(12-17)4-3-10-27-20/h1-14H
InChIKeyMFXWPWCCCBESRM-UHFFFAOYSA-N
MW457.32 g/mol
LogP6.10
Rot. Bonds3

About 6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline

6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline (PubChem CID 71281194) has the molecular formula C24H14Cl2N6 and a molecular weight of 457.32 g/mol. Its IUPAC name is 6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline
PubChem CID71281194
Molecular FormulaC24H14Cl2N6
Molecular Weight457.32 g/mol
Exact Mass456.07
IUPAC Name6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline
SMILESClc1ccc(Cl)c(-c2nc3ccccn3c2-c2nncn2-c2ccc3ncccc3c2)c1
InChIInChI=1S/C24H14Cl2N6/c25-16-6-8-19(26)18(13-16)22-23(31-11-2-1-5-21(31)29-22)24-30-28-14-32(24)17-7-9-20-15(12-17)4-3-10-27-20/h1-14H
InChIKeyMFXWPWCCCBESRM-UHFFFAOYSA-N
XLogP6.10
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.32
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline?
The IUPAC name of 6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline (CID 71281194) is 6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline.
What is the SMILES notation for 6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline?
The canonical SMILES for 6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline is Clc1ccc(Cl)c(-c2nc3ccccn3c2-c2nncn2-c2ccc3ncccc3c2)c1.
What is the InChIKey of 6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline?
The InChIKey is MFXWPWCCCBESRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N6/c25-16-6-8-19(26)18(13-16)22-23(31-11-2-1-5-21(31)29-22)24-30-28-14-32(24)17-7-9-20-15(12-17)4-3-10-27-20/h1-14H.
What are the key properties of 6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline?
6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline has a molecular weight of 457.32 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-triazol-4-yl]quinoline is sourced from PubChem (CID 71281194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).