2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole

C25H24N6O3 — CID 163840793

IUPAC2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(OC)cc(-c3cnc4cc(-c5cnn(C6CC6)c5)ccn34)cc2OC)o1
InChIInChI=1S/C25H24N6O3/c1-4-23-28-29-25(34-23)24-20(32-2)9-16(10-21(24)33-3)19-13-26-22-11-15(7-8-30(19)22)17-12-27-31(14-17)18-5-6-18/h7-14,18H,4-6H2,1-3H3
InChIKeyOLULSQINUASNMI-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.83
Rot. Bonds7

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

2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 163840793) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID163840793
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(OC)cc(-c3cnc4cc(-c5cnn(C6CC6)c5)ccn34)cc2OC)o1
InChIInChI=1S/C25H24N6O3/c1-4-23-28-29-25(34-23)24-20(32-2)9-16(10-21(24)33-3)19-13-26-22-11-15(7-8-30(19)22)17-12-27-31(14-17)18-5-6-18/h7-14,18H,4-6H2,1-3H3
InChIKeyOLULSQINUASNMI-UHFFFAOYSA-N
XLogP4.83
TPSA92.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole (CID 163840793) is 2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2c(OC)cc(-c3cnc4cc(-c5cnn(C6CC6)c5)ccn34)cc2OC)o1.
What is the InChIKey of 2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is OLULSQINUASNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-4-23-28-29-25(34-23)24-20(32-2)9-16(10-21(24)33-3)19-13-26-22-11-15(7-8-30(19)22)17-12-27-31(14-17)18-5-6-18/h7-14,18H,4-6H2,1-3H3.
What are the key properties of 2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole?
2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 456.51 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(1-cyclopropylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxyphenyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 163840793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).