2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole

C21H18N6O — CID 170673726

IUPAC2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCCn1cc(-c2ccn3c(-c4ccc(-c5nnc(C)o5)cc4)cnc3c2)cn1
InChIInChI=1S/C21H18N6O/c1-3-26-13-18(11-23-26)17-8-9-27-19(12-22-20(27)10-17)15-4-6-16(7-5-15)21-25-24-14(2)28-21/h4-13H,3H2,1-2H3
InChIKeyKEGXXUKERMUSTH-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.24
Rot. Bonds4

About 2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole

2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 170673726) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID170673726
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCCn1cc(-c2ccn3c(-c4ccc(-c5nnc(C)o5)cc4)cnc3c2)cn1
InChIInChI=1S/C21H18N6O/c1-3-26-13-18(11-23-26)17-8-9-27-19(12-22-20(27)10-17)15-4-6-16(7-5-15)21-25-24-14(2)28-21/h4-13H,3H2,1-2H3
InChIKeyKEGXXUKERMUSTH-UHFFFAOYSA-N
XLogP4.24
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole (CID 170673726) is 2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole is CCn1cc(-c2ccn3c(-c4ccc(-c5nnc(C)o5)cc4)cnc3c2)cn1.
What is the InChIKey of 2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is KEGXXUKERMUSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-3-26-13-18(11-23-26)17-8-9-27-19(12-22-20(27)10-17)15-4-6-16(7-5-15)21-25-24-14(2)28-21/h4-13H,3H2,1-2H3.
What are the key properties of 2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole?
2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 370.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 170673726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).