1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

C21H20N6O3 — CID 68690075

IUPAC1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cnc3nc[nH]c3c2)n1
InChIInChI=1S/C21H20N6O3/c28-18(12-29-15-6-2-1-3-7-15)27-9-5-4-8-17(27)20-25-21(30-26-20)14-10-16-19(22-11-14)24-13-23-16/h1-3,6-7,10-11,13,17H,4-5,8-9,12H2,(H,22,23,24)/t17-/m1/s1
InChIKeyDFBZYVPBKLWTSY-QGZVFWFLSA-N
MW404.43 g/mol
LogP3.14
Rot. Bonds5

About 1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 68690075) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID68690075
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cnc3nc[nH]c3c2)n1
InChIInChI=1S/C21H20N6O3/c28-18(12-29-15-6-2-1-3-7-15)27-9-5-4-8-17(27)20-25-21(30-26-20)14-10-16-19(22-11-14)24-13-23-16/h1-3,6-7,10-11,13,17H,4-5,8-9,12H2,(H,22,23,24)/t17-/m1/s1
InChIKeyDFBZYVPBKLWTSY-QGZVFWFLSA-N
XLogP3.14
TPSA110.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone (CID 68690075) is 1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cnc3nc[nH]c3c2)n1.
What is the InChIKey of 1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is DFBZYVPBKLWTSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-18(12-29-15-6-2-1-3-7-15)27-9-5-4-8-17(27)20-25-21(30-26-20)14-10-16-19(22-11-14)24-13-23-16/h1-3,6-7,10-11,13,17H,4-5,8-9,12H2,(H,22,23,24)/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 404.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 68690075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).