5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one

C18H10F2N6O2 — CID 22032445

IUPAC5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4F)cn23)o1
InChIInChI=1S/C18H10F2N6O2/c19-10-2-3-11(13(20)5-10)16-12(6-22-23-16)9-1-4-15-21-7-14(26(15)8-9)17-24-25-18(27)28-17/h1-8H,(H,22,23)(H,25,27)
InChIKeyMMKVJUYGGIEZBS-UHFFFAOYSA-N
MW380.31 g/mol
LogP3.01
Rot. Bonds3

About 5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one

5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 22032445) has the molecular formula C18H10F2N6O2 and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID22032445
Molecular FormulaC18H10F2N6O2
Molecular Weight380.31 g/mol
Exact Mass380.08
IUPAC Name5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4F)cn23)o1
InChIInChI=1S/C18H10F2N6O2/c19-10-2-3-11(13(20)5-10)16-12(6-22-23-16)9-1-4-15-21-7-14(26(15)8-9)17-24-25-18(27)28-17/h1-8H,(H,22,23)(H,25,27)
InChIKeyMMKVJUYGGIEZBS-UHFFFAOYSA-N
XLogP3.01
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 22032445) is 5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4F)cn23)o1.
What is the InChIKey of 5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is MMKVJUYGGIEZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N6O2/c19-10-2-3-11(13(20)5-10)16-12(6-22-23-16)9-1-4-15-21-7-14(26(15)8-9)17-24-25-18(27)28-17/h1-8H,(H,22,23)(H,25,27).
What are the key properties of 5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 380.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 22032445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).