3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole

C26H23FN6O2 — CID 10231896

IUPAC3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESFc1cc(OC2CCCC2)ccc1-c1[nH]ncc1-c1ccc2ncc(-c3noc(C4CC4)n3)n2c1
InChIInChI=1S/C26H23FN6O2/c27-21-11-18(34-17-3-1-2-4-17)8-9-19(21)24-20(12-29-31-24)16-7-10-23-28-13-22(33(23)14-16)25-30-26(35-32-25)15-5-6-15/h7-15,17H,1-6H2,(H,29,31)
InChIKeyNJGKPUUIQORJBN-UHFFFAOYSA-N
MW470.51 g/mol
LogP5.78
Rot. Bonds6

About 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole

3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole (PubChem CID 10231896) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole
PubChem CID10231896
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole
SMILESFc1cc(OC2CCCC2)ccc1-c1[nH]ncc1-c1ccc2ncc(-c3noc(C4CC4)n3)n2c1
InChIInChI=1S/C26H23FN6O2/c27-21-11-18(34-17-3-1-2-4-17)8-9-19(21)24-20(12-29-31-24)16-7-10-23-28-13-22(33(23)14-16)25-30-26(35-32-25)15-5-6-15/h7-15,17H,1-6H2,(H,29,31)
InChIKeyNJGKPUUIQORJBN-UHFFFAOYSA-N
XLogP5.78
TPSA94.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole (CID 10231896) is 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole is Fc1cc(OC2CCCC2)ccc1-c1[nH]ncc1-c1ccc2ncc(-c3noc(C4CC4)n3)n2c1.
What is the InChIKey of 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is NJGKPUUIQORJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-21-11-18(34-17-3-1-2-4-17)8-9-19(21)24-20(12-29-31-24)16-7-10-23-28-13-22(33(23)14-16)25-30-26(35-32-25)15-5-6-15/h7-15,17H,1-6H2,(H,29,31).
What are the key properties of 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole?
3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 470.51 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 10231896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).