7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

C23H22N6O4 — CID 118738085

IUPAC7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESNC(=O)c1cn2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2n1
InChIInChI=1S/C23H22N6O4/c24-21(31)17-13-28-11-9-15(12-19(28)25-17)22-26-23(33-27-22)18-8-4-5-10-29(18)20(30)14-32-16-6-2-1-3-7-16/h1-3,6-7,9,11-13,18H,4-5,8,10,14H2,(H2,24,31)/t18-/m1/s1
InChIKeyPCZJKVXCVCIFBJ-GOSISDBHSA-N
MW446.47 g/mol
LogP2.62
Rot. Bonds6

About 7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 118738085) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID118738085
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESNC(=O)c1cn2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2n1
InChIInChI=1S/C23H22N6O4/c24-21(31)17-13-28-11-9-15(12-19(28)25-17)22-26-23(33-27-22)18-8-4-5-10-29(18)20(30)14-32-16-6-2-1-3-7-16/h1-3,6-7,9,11-13,18H,4-5,8,10,14H2,(H2,24,31)/t18-/m1/s1
InChIKeyPCZJKVXCVCIFBJ-GOSISDBHSA-N
XLogP2.62
TPSA128.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 118738085) is 7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is NC(=O)c1cn2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2n1.
What is the InChIKey of 7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PCZJKVXCVCIFBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N6O4/c24-21(31)17-13-28-11-9-15(12-19(28)25-17)22-26-23(33-27-22)18-8-4-5-10-29(18)20(30)14-32-16-6-2-1-3-7-16/h1-3,6-7,9,11-13,18H,4-5,8,10,14H2,(H2,24,31)/t18-/m1/s1.
What are the key properties of 7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 118738085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).