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

C21H14F2N6O — CID 10179349

IUPAC2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nnc(C5CC5)o4)n3c2)c(F)c1
InChIInChI=1S/C21H14F2N6O/c22-13-4-5-14(16(23)7-13)19-15(8-25-26-19)12-3-6-18-24-9-17(29(18)10-12)21-28-27-20(30-21)11-1-2-11/h3-11H,1-2H2,(H,25,26)
InChIKeyMORUVSTVFMAWBA-UHFFFAOYSA-N
MW404.38 g/mol
LogP4.60
Rot. Bonds4

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

2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole (PubChem CID 10179349) has the molecular formula C21H14F2N6O and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole
PubChem CID10179349
Molecular FormulaC21H14F2N6O
Molecular Weight404.38 g/mol
Exact Mass404.12
IUPAC Name2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nnc(C5CC5)o4)n3c2)c(F)c1
InChIInChI=1S/C21H14F2N6O/c22-13-4-5-14(16(23)7-13)19-15(8-25-26-19)12-3-6-18-24-9-17(29(18)10-12)21-28-27-20(30-21)11-1-2-11/h3-11H,1-2H2,(H,25,26)
InChIKeyMORUVSTVFMAWBA-UHFFFAOYSA-N
XLogP4.60
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole (CID 10179349) is 2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole is Fc1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nnc(C5CC5)o4)n3c2)c(F)c1.
What is the InChIKey of 2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole?
The InChIKey is MORUVSTVFMAWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O/c22-13-4-5-14(16(23)7-13)19-15(8-25-26-19)12-3-6-18-24-9-17(29(18)10-12)21-28-27-20(30-21)11-1-2-11/h3-11H,1-2H2,(H,25,26).
What are the key properties of 2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole has a molecular weight of 404.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[6-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 10179349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).