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

C24H14ClFN6O — CID 23537659

IUPAC5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole
SMILESFc1cc(Cl)ccc1-c1nc(-c2ccc(-c3cnc4ccc(-c5cn[nH]c5)cn34)cc2)no1
InChIInChI=1S/C24H14ClFN6O/c25-18-6-7-19(20(26)9-18)24-30-23(31-33-24)15-3-1-14(2-4-15)21-12-27-22-8-5-16(13-32(21)22)17-10-28-29-11-17/h1-13H,(H,28,29)
InChIKeyLXGDTSFNDVCNTN-UHFFFAOYSA-N
MW456.87 g/mol
LogP5.90
Rot. Bonds4

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

5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 23537659) has the molecular formula C24H14ClFN6O and a molecular weight of 456.87 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole
PubChem CID23537659
Molecular FormulaC24H14ClFN6O
Molecular Weight456.87 g/mol
Exact Mass456.09
IUPAC Name5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole
SMILESFc1cc(Cl)ccc1-c1nc(-c2ccc(-c3cnc4ccc(-c5cn[nH]c5)cn34)cc2)no1
InChIInChI=1S/C24H14ClFN6O/c25-18-6-7-19(20(26)9-18)24-30-23(31-33-24)15-3-1-14(2-4-15)21-12-27-22-8-5-16(13-32(21)22)17-10-28-29-11-17/h1-13H,(H,28,29)
InChIKeyLXGDTSFNDVCNTN-UHFFFAOYSA-N
XLogP5.90
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.87
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole (CID 23537659) is 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole is Fc1cc(Cl)ccc1-c1nc(-c2ccc(-c3cnc4ccc(-c5cn[nH]c5)cn34)cc2)no1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is LXGDTSFNDVCNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClFN6O/c25-18-6-7-19(20(26)9-18)24-30-23(31-33-24)15-3-1-14(2-4-15)21-12-27-22-8-5-16(13-32(21)22)17-10-28-29-11-17/h1-13H,(H,28,29).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole?
5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 456.87 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-3-[4-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 23537659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).