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

C19H17ClF3N7O3 — CID 71015532

IUPAC4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncc(-c3nc(CO)no3)cc2Cl)CC1
InChIInChI=1S/C19H17ClF3N7O3/c20-13-7-11(17-26-15(10-31)28-33-17)8-25-16(13)29-3-5-30(6-4-29)18(32)27-14-2-1-12(9-24-14)19(21,22)23/h1-2,7-9,31H,3-6,10H2,(H,24,27,32)
InChIKeyCJKZGZAOXDODQG-UHFFFAOYSA-N
MW483.84 g/mol
LogP3.05
Rot. Bonds4

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

4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 71015532) has the molecular formula C19H17ClF3N7O3 and a molecular weight of 483.84 g/mol. Its IUPAC name is 4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID71015532
Molecular FormulaC19H17ClF3N7O3
Molecular Weight483.84 g/mol
Exact Mass483.10
IUPAC Name4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncc(-c3nc(CO)no3)cc2Cl)CC1
InChIInChI=1S/C19H17ClF3N7O3/c20-13-7-11(17-26-15(10-31)28-33-17)8-25-16(13)29-3-5-30(6-4-29)18(32)27-14-2-1-12(9-24-14)19(21,22)23/h1-2,7-9,31H,3-6,10H2,(H,24,27,32)
InChIKeyCJKZGZAOXDODQG-UHFFFAOYSA-N
XLogP3.05
TPSA120.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.84
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 71015532) is 4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncc(-c3nc(CO)no3)cc2Cl)CC1.
What is the InChIKey of 4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is CJKZGZAOXDODQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N7O3/c20-13-7-11(17-26-15(10-31)28-33-17)8-25-16(13)29-3-5-30(6-4-29)18(32)27-14-2-1-12(9-24-14)19(21,22)23/h1-2,7-9,31H,3-6,10H2,(H,24,27,32).
What are the key properties of 4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 483.84 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 71015532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).