5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid

C100H97F3N30O20S4 — CID 157121925

About 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid

5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid (PubChem CID 157121925) has the molecular formula C100H97F3N30O20S4 and a molecular weight of 2224.33 g/mol. Its IUPAC name is 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid
• PubChem CID: 157121925
• Molecular Formula: C100H97F3N30O20S4
• Molecular Weight: 2224.33 g/mol
• Exact Mass: 2222.63
• IUPAC Name: 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid
• SMILES: CCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2nccs2)n1.CCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2nccs2)n1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1ccc(-c2cnn(C3CCC3)c2)o1.O=C(Nc1cn(C2CCOC2)nc1-c1nccs1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn(C2CCOC2)nc1-c1nccs1)c1ccc(-c2cn[nH]c2)o1.O=C(O)C(F)(F)F.O=CO.O=CO
• InChI: InChI=1S/C24H24N6O2.2C18H16N6O3S.2C18H18N6O3S.C2HF3O2.2CH2O2/c31-24(22-11-10-21(32-22)16-13-26-29(14-16)17-5-3-6-17)27-20-15-30(18-7-4-8-18)28-23(20)19-9-1-2-12-25-19;2*25-17(15-2-1-14(27-15)11-7-20-21-8-11)22-13-9-24(12-3-5-26-10-12)23-16(13)18-19-4-6-28-18;2*1-2-26-7-6-24-11-13(16(23-24)18-19-5-8-28-18)22-17(25)15-4-3-14(27-15)12-9-20-21-10-12;3-2(4,5)1(6)7;2*2-1-3/h1-2,9-15,17-18H,3-8H2,(H,27,31);2*1-2,4,6-9,12H,3,5,10H2,(H,20,21)(H,22,25);2*3-5,8-11H,2,6-7H2,1H3,(H,20,21)(H,22,25);(H,6,7);2*1H,(H,2,3)
• InChIKey: LGRMRARWFDWIKE-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 646.11 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2224.33
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid?

The IUPAC name of 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid (CID 157121925) is 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid is CCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2nccs2)n1.CCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2nccs2)n1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1ccc(-c2cnn(C3CCC3)c2)o1.O=C(Nc1cn(C2CCOC2)nc1-c1nccs1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn(C2CCOC2)nc1-c1nccs1)c1ccc(-c2cn[nH]c2)o1.O=C(O)C(F)(F)F.O=CO.O=CO.

What is the InChIKey of 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid?

The InChIKey is LGRMRARWFDWIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2.2C18H16N6O3S.2C18H18N6O3S.C2HF3O2.2CH2O2/c31-24(22-11-10-21(32-22)16-13-26-29(14-16)17-5-3-6-17)27-20-15-30(18-7-4-8-18)28-23(20)19-9-1-2-12-25-19;2*25-17(15-2-1-14(27-15)11-7-20-21-8-11)22-13-9-24(12-3-5-26-10-12)23-16(13)18-19-4-6-28-18;2*1-2-26-7-6-24-11-13(16(23-24)18-19-5-8-28-18)22-17(25)15-4-3-14(27-15)12-9-20-21-10-12;3-2(4,5)1(6)7;2*2-1-3/h1-2,9-15,17-18H,3-8H2,(H,27,31);2*1-2,4,6-9,12H,3,5,10H2,(H,20,21)(H,22,25);2*3-5,8-11H,2,6-7H2,1H3,(H,20,21)(H,22,25);(H,6,7);2*1H,(H,2,3).

What are the key properties of 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid?

5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid has a molecular weight of 2224.33 g/mol, XLogP of 18.10, 32 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-cyclobutylpyrazol-4-yl)-N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide;bis(N-[1-(2-ethoxyethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(oxolan-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157121925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).