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

C24H21F2N7O2 — CID 22031988

IUPAC4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine
SMILESFc1cccc(F)c1-c1[nH]ncc1-c1ccc2ncc(-c3noc(CCN4CCOCC4)n3)n2c1
InChIInChI=1S/C24H21F2N7O2/c25-17-2-1-3-18(26)22(17)23-16(12-28-30-23)15-4-5-20-27-13-19(33(20)14-15)24-29-21(35-31-24)6-7-32-8-10-34-11-9-32/h1-5,12-14H,6-11H2,(H,28,30)
InChIKeyNCIMPQIVLYHRCK-UHFFFAOYSA-N
MW477.48 g/mol
LogP3.59
Rot. Bonds6

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

4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine (PubChem CID 22031988) has the molecular formula C24H21F2N7O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is 4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine
PubChem CID22031988
Molecular FormulaC24H21F2N7O2
Molecular Weight477.48 g/mol
Exact Mass477.17
IUPAC Name4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine
SMILESFc1cccc(F)c1-c1[nH]ncc1-c1ccc2ncc(-c3noc(CCN4CCOCC4)n3)n2c1
InChIInChI=1S/C24H21F2N7O2/c25-17-2-1-3-18(26)22(17)23-16(12-28-30-23)15-4-5-20-27-13-19(33(20)14-15)24-29-21(35-31-24)6-7-32-8-10-34-11-9-32/h1-5,12-14H,6-11H2,(H,28,30)
InChIKeyNCIMPQIVLYHRCK-UHFFFAOYSA-N
XLogP3.59
TPSA97.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine (CID 22031988) is 4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine is Fc1cccc(F)c1-c1[nH]ncc1-c1ccc2ncc(-c3noc(CCN4CCOCC4)n3)n2c1.
What is the InChIKey of 4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine?
The InChIKey is NCIMPQIVLYHRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O2/c25-17-2-1-3-18(26)22(17)23-16(12-28-30-23)15-4-5-20-27-13-19(33(20)14-15)24-29-21(35-31-24)6-7-32-8-10-34-11-9-32/h1-5,12-14H,6-11H2,(H,28,30).
What are the key properties of 4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine?
4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine has a molecular weight of 477.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[6-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine is sourced from PubChem (CID 22031988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).