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

C19H11F3N6O — CID 10142043

IUPAC5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1[nH]ncc1-c1ccc2ncc(-c3noc(C(F)F)n3)n2c1
InChIInChI=1S/C19H11F3N6O/c20-13-4-2-1-3-11(13)16-12(7-24-26-16)10-5-6-15-23-8-14(28(15)9-10)18-25-19(17(21)22)29-27-18/h1-9,17H,(H,24,26)
InChIKeyFGYCYQXZRZZXQM-UHFFFAOYSA-N
MW396.33 g/mol
LogP4.52
Rot. Bonds4

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

5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole (PubChem CID 10142043) has the molecular formula C19H11F3N6O and a molecular weight of 396.33 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole
PubChem CID10142043
Molecular FormulaC19H11F3N6O
Molecular Weight396.33 g/mol
Exact Mass396.09
IUPAC Name5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1[nH]ncc1-c1ccc2ncc(-c3noc(C(F)F)n3)n2c1
InChIInChI=1S/C19H11F3N6O/c20-13-4-2-1-3-11(13)16-12(7-24-26-16)10-5-6-15-23-8-14(28(15)9-10)18-25-19(17(21)22)29-27-18/h1-9,17H,(H,24,26)
InChIKeyFGYCYQXZRZZXQM-UHFFFAOYSA-N
XLogP4.52
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole (CID 10142043) is 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole is Fc1ccccc1-c1[nH]ncc1-c1ccc2ncc(-c3noc(C(F)F)n3)n2c1.
What is the InChIKey of 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole?
The InChIKey is FGYCYQXZRZZXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N6O/c20-13-4-2-1-3-11(13)16-12(7-24-26-16)10-5-6-15-23-8-14(28(15)9-10)18-25-19(17(21)22)29-27-18/h1-9,17H,(H,24,26).
What are the key properties of 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole?
5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole has a molecular weight of 396.33 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-[6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 10142043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).