5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole

C25H17F2N5O2 — CID 166378784

IUPAC5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-n2nc(-c3nc(-c4ccc(Oc5cccnc5)cc4)no3)c3c2CCC3)cc1F
InChIInChI=1S/C25H17F2N5O2/c26-20-11-8-16(13-21(20)27)32-22-5-1-4-19(22)23(30-32)25-29-24(31-34-25)15-6-9-17(10-7-15)33-18-3-2-12-28-14-18/h2-3,6-14H,1,4-5H2
InChIKeyQWIRTQBOGKUYNE-UHFFFAOYSA-N
MW457.44 g/mol
LogP5.54
Rot. Bonds5

About 5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole

5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 166378784) has the molecular formula C25H17F2N5O2 and a molecular weight of 457.44 g/mol. Its IUPAC name is 5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID166378784
Molecular FormulaC25H17F2N5O2
Molecular Weight457.44 g/mol
Exact Mass457.14
IUPAC Name5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-n2nc(-c3nc(-c4ccc(Oc5cccnc5)cc4)no3)c3c2CCC3)cc1F
InChIInChI=1S/C25H17F2N5O2/c26-20-11-8-16(13-21(20)27)32-22-5-1-4-19(22)23(30-32)25-29-24(31-34-25)15-6-9-17(10-7-15)33-18-3-2-12-28-14-18/h2-3,6-14H,1,4-5H2
InChIKeyQWIRTQBOGKUYNE-UHFFFAOYSA-N
XLogP5.54
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole (CID 166378784) is 5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole is Fc1ccc(-n2nc(-c3nc(-c4ccc(Oc5cccnc5)cc4)no3)c3c2CCC3)cc1F.
What is the InChIKey of 5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is QWIRTQBOGKUYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N5O2/c26-20-11-8-16(13-21(20)27)32-22-5-1-4-19(22)23(30-32)25-29-24(31-34-25)15-6-9-17(10-7-15)33-18-3-2-12-28-14-18/h2-3,6-14H,1,4-5H2.
What are the key properties of 5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole?
5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 457.44 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166378784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).