bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide

C89H87F3N28O14 — CID 158092759

About bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide

bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 158092759) has the molecular formula C89H87F3N28O14 and a molecular weight of 1829.85 g/mol. Its IUPAC name is bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 158092759
• Molecular Formula: C89H87F3N28O14
• Molecular Weight: 1829.85 g/mol
• Exact Mass: 1828.69
• IUPAC Name: bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: CCCC(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CCCC(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CN1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.O=C(Nc1cn(C2CN(CC(F)(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO
• InChI: InChI=1S/2C23H23N7O3.C21H18F3N7O2.C20H19N7O2.2CH2O2/c2*1-2-5-21(31)29-12-16(13-29)30-14-18(22(28-30)17-6-3-4-9-24-17)27-23(32)20-8-7-19(33-20)15-10-25-26-11-15;22-21(23,24)12-30-9-14(10-30)31-11-16(19(29-31)15-3-1-2-6-25-15)28-20(32)18-5-4-17(33-18)13-7-26-27-8-13;1-26-10-14(11-26)27-12-16(19(25-27)15-4-2-3-7-21-15)24-20(28)18-6-5-17(29-18)13-8-22-23-9-13;2*2-1-3/h2*3-4,6-11,14,16H,2,5,12-13H2,1H3,(H,25,26)(H,27,32);1-8,11,14H,9-10,12H2,(H,26,27)(H,28,32);2-9,12,14H,10-11H2,1H3,(H,22,23)(H,24,28);2*1H,(H,2,3)
• InChIKey: FOHPCDQNHOQYMU-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 528.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1829.85
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide (CID 158092759) is bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide?

The canonical SMILES for bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide is CCCC(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CCCC(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CN1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.O=C(Nc1cn(C2CN(CC(F)(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO.

What is the InChIKey of bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide?

The InChIKey is FOHPCDQNHOQYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23N7O3.C21H18F3N7O2.C20H19N7O2.2CH2O2/c2*1-2-5-21(31)29-12-16(13-29)30-14-18(22(28-30)17-6-3-4-9-24-17)27-23(32)20-8-7-19(33-20)15-10-25-26-11-15;22-21(23,24)12-30-9-14(10-30)31-11-16(19(29-31)15-3-1-2-6-25-15)28-20(32)18-5-4-17(33-18)13-7-26-27-8-13;1-26-10-14(11-26)27-12-16(19(25-27)15-4-2-3-7-21-15)24-20(28)18-6-5-17(29-18)13-8-22-23-9-13;2*2-1-3/h2*3-4,6-11,14,16H,2,5,12-13H2,1H3,(H,25,26)(H,27,32);1-8,11,14H,9-10,12H2,(H,26,27)(H,28,32);2-9,12,14H,10-11H2,1H3,(H,22,23)(H,24,28);2*1H,(H,2,3).

What are the key properties of bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide?

bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 1829.85 g/mol, XLogP of 12.40, 25 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-4-yl)-N-[3-pyridin-2-yl-1-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 158092759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).