2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole

C21H16Cl2N6O — CID 163986271

IUPAC2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(Cl)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2Cl)o1
InChIInChI=1S/C21H16Cl2N6O/c1-3-19-26-27-21(30-19)20-15(22)6-13(7-16(20)23)17-10-24-18-8-12(4-5-29(17)18)14-9-25-28(2)11-14/h4-11H,3H2,1-2H3
InChIKeyTWQAQBRNIRWLSL-UHFFFAOYSA-N
MW439.31 g/mol
LogP5.32
Rot. Bonds4

About 2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole

2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 163986271) has the molecular formula C21H16Cl2N6O and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID163986271
Molecular FormulaC21H16Cl2N6O
Molecular Weight439.31 g/mol
Exact Mass438.08
IUPAC Name2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(Cl)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2Cl)o1
InChIInChI=1S/C21H16Cl2N6O/c1-3-19-26-27-21(30-19)20-15(22)6-13(7-16(20)23)17-10-24-18-8-12(4-5-29(17)18)14-9-25-28(2)11-14/h4-11H,3H2,1-2H3
InChIKeyTWQAQBRNIRWLSL-UHFFFAOYSA-N
XLogP5.32
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole (CID 163986271) is 2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2c(Cl)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2Cl)o1.
What is the InChIKey of 2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is TWQAQBRNIRWLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N6O/c1-3-19-26-27-21(30-19)20-15(22)6-13(7-16(20)23)17-10-24-18-8-12(4-5-29(17)18)14-9-25-28(2)11-14/h4-11H,3H2,1-2H3.
What are the key properties of 2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole?
2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 439.31 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 163986271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).