N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

C26H20F3N5O3 — CID 157207251

IUPACN-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(c1ccc(C(F)(F)F)cc1)n1cccc(C(=O)NCc2noc(C3=CCc4ncccc43)n2)c1=O
InChIInChI=1S/C26H20F3N5O3/c1-15(16-6-8-17(9-7-16)26(27,28)29)34-13-3-5-20(25(34)36)23(35)31-14-22-32-24(37-33-22)19-10-11-21-18(19)4-2-12-30-21/h2-10,12-13,15H,11,14H2,1H3,(H,31,35)
InChIKeyIUYNAWALVQURCZ-UHFFFAOYSA-N
MW507.47 g/mol
LogP4.17
Rot. Bonds6

About N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 157207251) has the molecular formula C26H20F3N5O3 and a molecular weight of 507.47 g/mol. Its IUPAC name is N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID157207251
Molecular FormulaC26H20F3N5O3
Molecular Weight507.47 g/mol
Exact Mass507.15
IUPAC NameN-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC(c1ccc(C(F)(F)F)cc1)n1cccc(C(=O)NCc2noc(C3=CCc4ncccc43)n2)c1=O
InChIInChI=1S/C26H20F3N5O3/c1-15(16-6-8-17(9-7-16)26(27,28)29)34-13-3-5-20(25(34)36)23(35)31-14-22-32-24(37-33-22)19-10-11-21-18(19)4-2-12-30-21/h2-10,12-13,15H,11,14H2,1H3,(H,31,35)
InChIKeyIUYNAWALVQURCZ-UHFFFAOYSA-N
XLogP4.17
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

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CID 118308254

Frequently Asked Questions

What is the IUPAC name of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 157207251) is N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is CC(c1ccc(C(F)(F)F)cc1)n1cccc(C(=O)NCc2noc(C3=CCc4ncccc43)n2)c1=O.
What is the InChIKey of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is IUYNAWALVQURCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O3/c1-15(16-6-8-17(9-7-16)26(27,28)29)34-13-3-5-20(25(34)36)23(35)31-14-22-32-24(37-33-22)19-10-11-21-18(19)4-2-12-30-21/h2-10,12-13,15H,11,14H2,1H3,(H,31,35).
What are the key properties of N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 507.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 157207251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).