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

C23H22N6O3 — CID 163961995

IUPAC3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(-c2c(OC)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2OC)no1
InChIInChI=1S/C23H22N6O3/c1-5-21-26-23(27-32-21)22-18(30-3)8-15(9-19(22)31-4)17-12-24-20-10-14(6-7-29(17)20)16-11-25-28(2)13-16/h6-13H,5H2,1-4H3
InChIKeySIICZZZVCXGXGX-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.03
Rot. Bonds6

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

3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 163961995) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole
PubChem CID163961995
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(-c2c(OC)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2OC)no1
InChIInChI=1S/C23H22N6O3/c1-5-21-26-23(27-32-21)22-18(30-3)8-15(9-19(22)31-4)17-12-24-20-10-14(6-7-29(17)20)16-11-25-28(2)13-16/h6-13H,5H2,1-4H3
InChIKeySIICZZZVCXGXGX-UHFFFAOYSA-N
XLogP4.03
TPSA92.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole (CID 163961995) is 3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(-c2c(OC)cc(-c3cnc4cc(-c5cnn(C)c5)ccn34)cc2OC)no1.
What is the InChIKey of 3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is SIICZZZVCXGXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-5-21-26-23(27-32-21)22-18(30-3)8-15(9-19(22)31-4)17-12-24-20-10-14(6-7-29(17)20)16-11-25-28(2)13-16/h6-13H,5H2,1-4H3.
What are the key properties of 3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole?
3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 430.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 163961995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).