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

C102H93F3N30O16 — CID 161058530

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

bis(N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 161058530) has the molecular formula C102H93F3N30O16 and a molecular weight of 2052.05 g/mol. Its IUPAC name is bis(N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: bis(N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 161058530
• Molecular Formula: C102H93F3N30O16
• Molecular Weight: 2052.05 g/mol
• Exact Mass: 2050.73
• IUPAC Name: bis(N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: COC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.COC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.Cn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccccn2)n1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(O)C(F)(F)F.O=CO
• InChI: InChI=1S/2C21H20N6O3.2C20H18N6O2.C17H14N6O2.C2HF3O2.CH2O2/c2*1-29-15-8-14(9-15)27-12-17(20(26-27)16-4-2-3-7-22-16)25-21(28)19-6-5-18(30-19)13-10-23-24-11-13;2*27-20(18-8-7-17(28-18)13-10-22-23-11-13)24-16-12-26(14-4-3-5-14)25-19(16)15-6-1-2-9-21-15;1-23-10-13(16(22-23)12-4-2-3-7-18-12)21-17(24)15-6-5-14(25-15)11-8-19-20-9-11;3-2(4,5)1(6)7;2-1-3/h2*2-7,10-12,14-15H,8-9H2,1H3,(H,23,24)(H,25,28);2*1-2,6-12,14H,3-5H2,(H,22,23)(H,24,27);2-10H,1H3,(H,19,20)(H,21,24);(H,6,7);1H,(H,2,3)
• InChIKey: XFIYJGRSMATLFJ-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 601.21 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.05
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid (CID 161058530) is bis(N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);N-(1-methyl-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 bis(N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for bis(N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid is COC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.COC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.Cn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccccn2)n1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn(C2CCC2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(O)C(F)(F)F.O=CO.

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

The InChIKey is XFIYJGRSMATLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N6O3.2C20H18N6O2.C17H14N6O2.C2HF3O2.CH2O2/c2*1-29-15-8-14(9-15)27-12-17(20(26-27)16-4-2-3-7-22-16)25-21(28)19-6-5-18(30-19)13-10-23-24-11-13;2*27-20(18-8-7-17(28-18)13-10-22-23-11-13)24-16-12-26(14-4-3-5-14)25-19(16)15-6-1-2-9-21-15;1-23-10-13(16(22-23)12-4-2-3-7-18-12)21-17(24)15-6-5-14(25-15)11-8-19-20-9-11;3-2(4,5)1(6)7;2-1-3/h2*2-7,10-12,14-15H,8-9H2,1H3,(H,23,24)(H,25,28);2*1-2,6-12,14H,3-5H2,(H,22,23)(H,24,27);2-10H,1H3,(H,19,20)(H,21,24);(H,6,7);1H,(H,2,3).

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

bis(N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 2052.05 g/mol, XLogP of 17.92, 26 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(1-cyclobutyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide);formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161058530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).