2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide

C17H17ClN6O2 — CID 88571893

IUPAC2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2nc(C3(c4ccc(Cl)nc4)CCC3)no2)cn1
InChIInChI=1S/C17H17ClN6O2/c1-19-14(25)10-24-9-11(7-21-24)15-22-16(23-26-15)17(5-2-6-17)12-3-4-13(18)20-8-12/h3-4,7-9H,2,5-6,10H2,1H3,(H,19,25)
InChIKeyGQDVKHVTYZZSPO-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.20
Rot. Bonds5

About 2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide

2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 88571893) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide
PubChem CID88571893
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2nc(C3(c4ccc(Cl)nc4)CCC3)no2)cn1
InChIInChI=1S/C17H17ClN6O2/c1-19-14(25)10-24-9-11(7-21-24)15-22-16(23-26-15)17(5-2-6-17)12-3-4-13(18)20-8-12/h3-4,7-9H,2,5-6,10H2,1H3,(H,19,25)
InChIKeyGQDVKHVTYZZSPO-UHFFFAOYSA-N
XLogP2.20
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 66828240
2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 66828227
5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66825819
1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 66824640
5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66824588
5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 66780354
2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]prop-2-en-1-ol
CID 66828289
5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine
CID 66826552
5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole
CID 56849300
3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine
CID 56849054
2-[4-[3-[[4-(2-aminopyrimidin-5-yl)phenyl]-cyclopropylmethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide
CID 77448446
ethyl 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate
CID 56944028

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide (CID 88571893) is 2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(-c2nc(C3(c4ccc(Cl)nc4)CCC3)no2)cn1.
What is the InChIKey of 2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is GQDVKHVTYZZSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-19-14(25)10-24-9-11(7-21-24)15-22-16(23-26-15)17(5-2-6-17)12-3-4-13(18)20-8-12/h3-4,7-9H,2,5-6,10H2,1H3,(H,19,25).
What are the key properties of 2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 372.82 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-(6-chloro-3-pyridinyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 88571893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).