formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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

C93H92F3N29O15 — CID 158074267

About formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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

formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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 158074267) has the molecular formula C93H92F3N29O15 and a molecular weight of 1912.94 g/mol. Its IUPAC name is formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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: formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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: 158074267
• Molecular Formula: C93H92F3N29O15
• Molecular Weight: 1912.94 g/mol
• Exact Mass: 1911.73
• IUPAC Name: formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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: CC(C)C(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CC(C)C(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.O=C(Nc1cn(C2CN(C(=O)N3CCCC3)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn(C2CN(CC(F)(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO
• InChI: InChI=1S/C24H24N8O3.2C23H23N7O3.C21H18F3N7O2.2CH2O2/c33-23(21-7-6-20(35-21)16-11-26-27-12-16)28-19-15-32(29-22(19)18-5-1-2-8-25-18)17-13-31(14-17)24(34)30-9-3-4-10-30;2*1-14(2)23(32)29-11-16(12-29)30-13-18(21(28-30)17-5-3-4-8-24-17)27-22(31)20-7-6-19(33-20)15-9-25-26-10-15;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;2*2-1-3/h1-2,5-8,11-12,15,17H,3-4,9-10,13-14H2,(H,26,27)(H,28,33);2*3-10,13-14,16H,11-12H2,1-2H3,(H,25,26)(H,27,31);1-8,11,14H,9-10,12H2,(H,26,27)(H,28,32);2*1H,(H,2,3)
• InChIKey: FMEHYYZURQTRJE-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 548.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1912.94
LogP ≤ 5	12.69
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 formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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 formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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 158074267) is formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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 formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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 formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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 CC(C)C(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CC(C)C(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.O=C(Nc1cn(C2CN(C(=O)N3CCCC3)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.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 formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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 FMEHYYZURQTRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3.2C23H23N7O3.C21H18F3N7O2.2CH2O2/c33-23(21-7-6-20(35-21)16-11-26-27-12-16)28-19-15-32(29-22(19)18-5-1-2-8-25-18)17-13-31(14-17)24(34)30-9-3-4-10-30;2*1-14(2)23(32)29-11-16(12-29)30-13-18(21(28-30)17-5-3-4-8-24-17)27-22(31)20-7-6-19(33-20)15-9-25-26-10-15;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;2*2-1-3/h1-2,5-8,11-12,15,17H,3-4,9-10,13-14H2,(H,26,27)(H,28,33);2*3-10,13-14,16H,11-12H2,1-2H3,(H,25,26)(H,27,31);1-8,11,14H,9-10,12H2,(H,26,27)(H,28,32);2*1H,(H,2,3).

What are the key properties of formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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?

formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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 1912.94 g/mol, XLogP of 12.69, 23 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;bis(N-[1-[1-(2-methylpropanoyl)azetidin-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-(pyrrolidine-1-carbonyl)azetidin-3-yl]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 158074267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).