4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C20H17Cl2F3N6O3 — CID 71015560

IUPAC4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(c2ncc(-c3nnc(CO)o3)cc2Cl)CC1
InChIInChI=1S/C20H17Cl2F3N6O3/c21-14-8-12(1-2-13(14)20(23,24)25)27-19(33)31-5-3-30(4-6-31)17-15(22)7-11(9-26-17)18-29-28-16(10-32)34-18/h1-2,7-9,32H,3-6,10H2,(H,27,33)
InChIKeyFPNNNXNZRWEXFK-UHFFFAOYSA-N
MW517.30 g/mol
LogP4.30
Rot. Bonds4

About 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 71015560) has the molecular formula C20H17Cl2F3N6O3 and a molecular weight of 517.30 g/mol. Its IUPAC name is 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID71015560
Molecular FormulaC20H17Cl2F3N6O3
Molecular Weight517.30 g/mol
Exact Mass516.07
IUPAC Name4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(c2ncc(-c3nnc(CO)o3)cc2Cl)CC1
InChIInChI=1S/C20H17Cl2F3N6O3/c21-14-8-12(1-2-13(14)20(23,24)25)27-19(33)31-5-3-30(4-6-31)17-15(22)7-11(9-26-17)18-29-28-16(10-32)34-18/h1-2,7-9,32H,3-6,10H2,(H,27,33)
InChIKeyFPNNNXNZRWEXFK-UHFFFAOYSA-N
XLogP4.30
TPSA107.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.30
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-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 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 71015560) is 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(c2ncc(-c3nnc(CO)o3)cc2Cl)CC1.
What is the InChIKey of 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is FPNNNXNZRWEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N6O3/c21-14-8-12(1-2-13(14)20(23,24)25)27-19(33)31-5-3-30(4-6-31)17-15(22)7-11(9-26-17)18-29-28-16(10-32)34-18/h1-2,7-9,32H,3-6,10H2,(H,27,33).
What are the key properties of 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 517.30 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 71015560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).