5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane

C52H40F6N12O9 — CID 158059100

About 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane

5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane (PubChem CID 158059100) has the molecular formula C52H40F6N12O9 and a molecular weight of 1090.95 g/mol. Its IUPAC name is 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane.

Molecular Properties

• Compound Name: 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane
• PubChem CID: 158059100
• Molecular Formula: C52H40F6N12O9
• Molecular Weight: 1090.95 g/mol
• Exact Mass: 1090.29
• IUPAC Name: 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane
• SMILES: C1CCOC1.Nc1cc(C(=O)NCc2noc(C3=CCc4ncccc43)n2)c(=O)n(Cc2cc(F)c(F)c(F)c2)c1.O=C(NCc1noc(C2=CCc3ncccc32)n1)c1cc([N+](=O)[O-])cn(Cc2cc(F)c(F)c(F)c2)c1=O
• InChI: InChI=1S/C24H15F3N6O5.C24H17F3N6O3.C4H8O/c25-17-6-12(7-18(26)21(17)27)10-32-11-13(33(36)37)8-16(24(32)35)22(34)29-9-20-30-23(38-31-20)15-3-4-19-14(15)2-1-5-28-19;25-17-6-12(7-18(26)21(17)27)10-33-11-13(28)8-16(24(33)35)22(34)30-9-20-31-23(36-32-20)15-3-4-19-14(15)2-1-5-29-19;1-2-4-5-3-1/h1-3,5-8,11H,4,9-10H2,(H,29,34);1-3,5-8,11H,4,9-10,28H2,(H,30,34);1-4H2
• InChIKey: FKKSARNHDZZONO-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 284.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1090.95
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane?

The IUPAC name of 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane (CID 158059100) is 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane.

What is the SMILES notation for 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane?

The canonical SMILES for 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane is C1CCOC1.Nc1cc(C(=O)NCc2noc(C3=CCc4ncccc43)n2)c(=O)n(Cc2cc(F)c(F)c(F)c2)c1.O=C(NCc1noc(C2=CCc3ncccc32)n1)c1cc([N+](=O)[O-])cn(Cc2cc(F)c(F)c(F)c2)c1=O.

What is the InChIKey of 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane?

The InChIKey is FKKSARNHDZZONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O5.C24H17F3N6O3.C4H8O/c25-17-6-12(7-18(26)21(17)27)10-32-11-13(33(36)37)8-16(24(32)35)22(34)29-9-20-30-23(38-31-20)15-3-4-19-14(15)2-1-5-28-19;25-17-6-12(7-18(26)21(17)27)10-33-11-13(28)8-16(24(33)35)22(34)30-9-20-31-23(36-32-20)15-3-4-19-14(15)2-1-5-29-19;1-2-4-5-3-1/h1-3,5-8,11H,4,9-10H2,(H,29,34);1-3,5-8,11H,4,9-10,28H2,(H,30,34);1-4H2.

What are the key properties of 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane?

5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane has a molecular weight of 1090.95 g/mol, XLogP of 6.31, 13 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;oxolane is sourced from PubChem (CID 158059100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).