N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H20F3N7O3 — CID 134354918

IUPACN-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H](CC(N)=O)c2nc([C@H]3CCCCN3)no2)c(C(F)(F)F)n1
InChIInChI=1S/C16H20F3N7O3/c1-26-7-8(12(24-26)16(17,18)19)14(28)22-10(6-11(20)27)15-23-13(25-29-15)9-4-2-3-5-21-9/h7,9-10,21H,2-6H2,1H3,(H2,20,27)(H,22,28)/t9-,10+/m1/s1
InChIKeyVNVKPZACOHFBQB-ZJUUUORDSA-N
MW415.38 g/mol
LogP0.98
Rot. Bonds6

About N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134354918) has the molecular formula C16H20F3N7O3 and a molecular weight of 415.38 g/mol. Its IUPAC name is N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134354918
Molecular FormulaC16H20F3N7O3
Molecular Weight415.38 g/mol
Exact Mass415.16
IUPAC NameN-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H](CC(N)=O)c2nc([C@H]3CCCCN3)no2)c(C(F)(F)F)n1
InChIInChI=1S/C16H20F3N7O3/c1-26-7-8(12(24-26)16(17,18)19)14(28)22-10(6-11(20)27)15-23-13(25-29-15)9-4-2-3-5-21-9/h7,9-10,21H,2-6H2,1H3,(H2,20,27)(H,22,28)/t9-,10+/m1/s1
InChIKeyVNVKPZACOHFBQB-ZJUUUORDSA-N
XLogP0.98
TPSA140.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 134354918) is N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)N[C@@H](CC(N)=O)c2nc([C@H]3CCCCN3)no2)c(C(F)(F)F)n1.
What is the InChIKey of N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is VNVKPZACOHFBQB-ZJUUUORDSA-N. The full InChI is InChI=1S/C16H20F3N7O3/c1-26-7-8(12(24-26)16(17,18)19)14(28)22-10(6-11(20)27)15-23-13(25-29-15)9-4-2-3-5-21-9/h7,9-10,21H,2-6H2,1H3,(H2,20,27)(H,22,28)/t9-,10+/m1/s1.
What are the key properties of N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 415.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134354918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).