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

C24H22N6O3 — CID 163513116

IUPAC2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(OC)c1-c1nnc(C2CC2)o1
InChIInChI=1S/C24H22N6O3/c1-29-13-17(11-26-29)15-6-7-30-18(12-25-21(30)10-15)16-8-19(31-2)22(20(9-16)32-3)24-28-27-23(33-24)14-4-5-14/h6-14H,4-5H2,1-3H3
InChIKeyDEJPFOVGKKDPLD-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.35
Rot. Bonds6

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

2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 163513116) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole
PubChem CID163513116
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(OC)c1-c1nnc(C2CC2)o1
InChIInChI=1S/C24H22N6O3/c1-29-13-17(11-26-29)15-6-7-30-18(12-25-21(30)10-15)16-8-19(31-2)22(20(9-16)32-3)24-28-27-23(33-24)14-4-5-14/h6-14H,4-5H2,1-3H3
InChIKeyDEJPFOVGKKDPLD-UHFFFAOYSA-N
XLogP4.35
TPSA92.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole (CID 163513116) is 2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole is COc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(OC)c1-c1nnc(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is DEJPFOVGKKDPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-29-13-17(11-26-29)15-6-7-30-18(12-25-21(30)10-15)16-8-19(31-2)22(20(9-16)32-3)24-28-27-23(33-24)14-4-5-14/h6-14H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 442.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 163513116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).