6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide

C23H22N6O4 — CID 118738082

IUPAC6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2cc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc12
InChIInChI=1S/C23H22N6O4/c24-21(31)20-16-10-9-14(12-17(16)26-27-20)22-25-23(33-28-22)18-8-4-5-11-29(18)19(30)13-32-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2,(H2,24,31)(H,26,27)/t18-/m1/s1
InChIKeyQXNDAZBTHHPSCK-GOSISDBHSA-N
MW446.47 g/mol
LogP2.84
Rot. Bonds6

About 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide

6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide (PubChem CID 118738082) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide
PubChem CID118738082
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2cc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc12
InChIInChI=1S/C23H22N6O4/c24-21(31)20-16-10-9-14(12-17(16)26-27-20)22-25-23(33-28-22)18-8-4-5-11-29(18)19(30)13-32-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2,(H2,24,31)(H,26,27)/t18-/m1/s1
InChIKeyQXNDAZBTHHPSCK-GOSISDBHSA-N
XLogP2.84
TPSA140.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide (CID 118738082) is 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide is NC(=O)c1n[nH]c2cc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc12.
What is the InChIKey of 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is QXNDAZBTHHPSCK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N6O4/c24-21(31)20-16-10-9-14(12-17(16)26-27-20)22-25-23(33-28-22)18-8-4-5-11-29(18)19(30)13-32-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2,(H2,24,31)(H,26,27)/t18-/m1/s1.
What are the key properties of 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide?
6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118738082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).