N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

About N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 170720068) has the molecular formula C25H21F3N8O3 and a molecular weight of 538.49 g/mol. Its IUPAC name is N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name	N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
PubChem CID	170720068
Molecular Formula	C25H21F3N8O3
Molecular Weight	538.49 g/mol
Exact Mass	538.17
IUPAC Name	N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILES	C=CC(=O)N1C[C@@H](c2nc(-c3ccc(NC(=O)c4cccc(-c5ccn[nH]5)n4)nc3)no2)C[C@@H](C(F)(F)F)C1
InChI	InChI=1S/C25H21F3N8O3/c1-2-21(37)36-12-15(10-16(13-36)25(26,27)28)24-33-22(35-39-24)14-6-7-20(29-11-14)32-23(38)19-5-3-4-17(31-19)18-8-9-30-34-18/h2-9,11,15-16H,1,10,12-13H2,(H,30,34)(H,29,32,38)/t15-,16+/m0/s1
InChIKey	FOMZONGBUFLQKV-JKSUJKDBSA-N
XLogP	3.85
TPSA	142.79 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.49
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

The IUPAC name of N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 170720068) is N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

The canonical SMILES for N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is C=CC(=O)N1C[C@@H](c2nc(-c3ccc(NC(=O)c4cccc(-c5ccn[nH]5)n4)nc3)no2)C[C@@H](C(F)(F)F)C1.

What is the InChIKey of N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

The InChIKey is FOMZONGBUFLQKV-JKSUJKDBSA-N. The full InChI is InChI=1S/C25H21F3N8O3/c1-2-21(37)36-12-15(10-16(13-36)25(26,27)28)24-33-22(35-39-24)14-6-7-20(29-11-14)32-23(38)19-5-3-4-17(31-19)18-8-9-30-34-18/h2-9,11,15-16H,1,10,12-13H2,(H,30,34)(H,29,32,38)/t15-,16+/m0/s1.

What are the key properties of N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?

N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 538.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 170720068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).