N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H24F3N7O3 — CID 118172943

IUPACN-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCc1noc(C2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)n1
InChIInChI=1S/C25H24F3N7O3/c1-2-21-31-24(38-33-21)15-8-10-34(11-9-15)22(36)14-35-13-16-12-17(6-7-18(16)32-35)29-23(37)19-4-3-5-20(30-19)25(26,27)28/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,29,37)
InChIKeyXAWNCNRNEIHQSY-UHFFFAOYSA-N
MW527.51 g/mol
LogP4.05
Rot. Bonds6

About N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172943) has the molecular formula C25H24F3N7O3 and a molecular weight of 527.51 g/mol. Its IUPAC name is N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172943
Molecular FormulaC25H24F3N7O3
Molecular Weight527.51 g/mol
Exact Mass527.19
IUPAC NameN-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCc1noc(C2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)n1
InChIInChI=1S/C25H24F3N7O3/c1-2-21-31-24(38-33-21)15-8-10-34(11-9-15)22(36)14-35-13-16-12-17(6-7-18(16)32-35)29-23(37)19-4-3-5-20(30-19)25(26,27)28/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,29,37)
InChIKeyXAWNCNRNEIHQSY-UHFFFAOYSA-N
XLogP4.05
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172943) is N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCc1noc(C2CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)n1.
What is the InChIKey of N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XAWNCNRNEIHQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O3/c1-2-21-31-24(38-33-21)15-8-10-34(11-9-15)22(36)14-35-13-16-12-17(6-7-18(16)32-35)29-23(37)19-4-3-5-20(30-19)25(26,27)28/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,29,37).
What are the key properties of N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 527.51 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).