tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid

C89H93F3N24O16 — CID 159894256

About tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid

tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 159894256) has the molecular formula C89H93F3N24O16 and a molecular weight of 1811.87 g/mol. Its IUPAC name is tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 159894256
• Molecular Formula: C89H93F3N24O16
• Molecular Weight: 1811.87 g/mol
• Exact Mass: 1810.72
• IUPAC Name: tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(O)Cn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccccn2)n1.CCOCCn1cc(NC(=O)c2ccc(-c3cnn(C(=O)OC(C)(C)C)c3)o2)c(-c2ccccn2)n1.Cn1cc(-c2ccc(C(=O)Nc3cn(CC(C)(C)O)nc3-c3ccccn3)o2)cn1.Cn1cc(-c2ccc(C(=O)Nc3cn(CC(C)(C)O)nc3-c3ccccn3)o2)cn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H28N6O5.2C21H22N6O3.C20H20N6O3.C2HF3O2/c1-5-34-13-12-30-16-19(22(29-30)18-8-6-7-11-26-18)28-23(32)21-10-9-20(35-21)17-14-27-31(15-17)24(33)36-25(2,3)4;2*1-21(2,29)13-27-12-16(19(25-27)15-6-4-5-9-22-15)24-20(28)18-8-7-17(30-18)14-10-23-26(3)11-14;1-20(2,28)12-26-11-15(18(25-26)14-5-3-4-8-21-14)24-19(27)17-7-6-16(29-17)13-9-22-23-10-13;3-2(4,5)1(6)7/h6-11,14-16H,5,12-13H2,1-4H3,(H,28,32);2*4-12,29H,13H2,1-3H3,(H,24,28);3-11,28H,12H2,1-2H3,(H,22,23)(H,24,27);(H,6,7)
• InChIKey: VKUXDDBQSLOMAK-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 507.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1811.87
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid (CID 159894256) is tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)(O)Cn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccccn2)n1.CCOCCn1cc(NC(=O)c2ccc(-c3cnn(C(=O)OC(C)(C)C)c3)o2)c(-c2ccccn2)n1.Cn1cc(-c2ccc(C(=O)Nc3cn(CC(C)(C)O)nc3-c3ccccn3)o2)cn1.Cn1cc(-c2ccc(C(=O)Nc3cn(CC(C)(C)O)nc3-c3ccccn3)o2)cn1.O=C(O)C(F)(F)F.

What is the InChIKey of tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is VKUXDDBQSLOMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O5.2C21H22N6O3.C20H20N6O3.C2HF3O2/c1-5-34-13-12-30-16-19(22(29-30)18-8-6-7-11-26-18)28-23(32)21-10-9-20(35-21)17-14-27-31(15-17)24(33)36-25(2,3)4;2*1-21(2,29)13-27-12-16(19(25-27)15-6-4-5-9-22-15)24-20(28)18-8-7-17(30-18)14-10-23-26(3)11-14;1-20(2,28)12-26-11-15(18(25-26)14-5-3-4-8-21-14)24-19(27)17-7-6-16(29-17)13-9-22-23-10-13;3-2(4,5)1(6)7/h6-11,14-16H,5,12-13H2,1-4H3,(H,28,32);2*4-12,29H,13H2,1-3H3,(H,24,28);3-11,28H,12H2,1-2H3,(H,22,23)(H,24,27);(H,6,7).

What are the key properties of tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 1811.87 g/mol, XLogP of 13.98, 26 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-[[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]carbamoyl]furan-2-yl]pyrazole-1-carboxylate;bis(N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1-methylpyrazol-4-yl)furan-2-carboxamide);N-[1-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159894256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).