N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide

C22H21ClFN7O3 — CID 177197131

IUPACN-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCCOc1c(C(C)(CNC(=O)c2noc(-c3ccc(F)cn3)n2)c2cccc(Cl)n2)cnn1C
InChIInChI=1S/C22H21ClFN7O3/c1-4-33-21-14(11-27-31(21)3)22(2,16-6-5-7-17(23)28-16)12-26-19(32)18-29-20(34-30-18)15-9-8-13(24)10-25-15/h5-11H,4,12H2,1-3H3,(H,26,32)
InChIKeyQMSUNEPUOFCWPL-UHFFFAOYSA-N
MW485.91 g/mol
LogP3.19
Rot. Bonds8

About N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide

N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 177197131) has the molecular formula C22H21ClFN7O3 and a molecular weight of 485.91 g/mol. Its IUPAC name is N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID177197131
Molecular FormulaC22H21ClFN7O3
Molecular Weight485.91 g/mol
Exact Mass485.14
IUPAC NameN-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCCOc1c(C(C)(CNC(=O)c2noc(-c3ccc(F)cn3)n2)c2cccc(Cl)n2)cnn1C
InChIInChI=1S/C22H21ClFN7O3/c1-4-33-21-14(11-27-31(21)3)22(2,16-6-5-7-17(23)28-16)12-26-19(32)18-29-20(34-30-18)15-9-8-13(24)10-25-15/h5-11H,4,12H2,1-3H3,(H,26,32)
InChIKeyQMSUNEPUOFCWPL-UHFFFAOYSA-N
XLogP3.19
TPSA120.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.91
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

5-[1-[(6-Chloropyridin-3-yl)methyl]-5-methylpyrazol-3-yl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 58538563
5-[1-[(6-Chloro-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazole
CID 58538571
2-Chloro-5-({3-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-1H-pyrazol-1-yl}-methyl)pyridine
CID 58538808
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118603
5-[1-[(2-Chloropyridin-4-yl)methyl]-5-methylpyrazol-3-yl]-3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole
CID 90763135
Ethane;5-[5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]pyridine-2-carboxamide
CID 144417265
3-(4-fluorophenyl)-1-methyl-N-[(1S)-1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 155271784
3-(4-fluorophenyl)-1-methyl-N-[1-[3-(2-propan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 155271787
N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272152
N-[1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272155
3-[4-[1-(Difluoromethyl)pyrazol-4-yl]-5-methoxy-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 167518341
3-(difluoromethyl)-N-[(1S)-1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 169262812

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide (CID 177197131) is N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide is CCOc1c(C(C)(CNC(=O)c2noc(-c3ccc(F)cn3)n2)c2cccc(Cl)n2)cnn1C.
What is the InChIKey of N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QMSUNEPUOFCWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN7O3/c1-4-33-21-14(11-27-31(21)3)22(2,16-6-5-7-17(23)28-16)12-26-19(32)18-29-20(34-30-18)15-9-8-13(24)10-25-15/h5-11H,4,12H2,1-3H3,(H,26,32).
What are the key properties of N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide?
N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 485.91 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-2-pyridinyl)-2-(5-ethoxy-1-methylpyrazol-4-yl)propyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 177197131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).