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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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)

C90H86F6N28O14 — CID 158462026

About 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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)

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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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 158462026) has the molecular formula C90H86F6N28O14 and a molecular weight of 1897.85 g/mol. Its IUPAC name is 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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: 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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: 158462026
• Molecular Formula: C90H86F6N28O14
• Molecular Weight: 1897.85 g/mol
• Exact Mass: 1896.68
• IUPAC Name: 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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.CCCC(=O)N1CC(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=C(Nc1cn(C2CN(CC(F)(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO
• InChI: InChI=1S/2C23H23N7O3.2C21H18F3N7O2.2CH2O2/c1-14(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;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;2*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/h3-10,13-14,16H,11-12H2,1-2H3,(H,25,26)(H,27,31);3-4,6-11,14,16H,2,5,12-13H2,1H3,(H,25,26)(H,27,32);2*1-8,11,14H,9-10,12H2,(H,26,27)(H,28,32);2*1H,(H,2,3)
• InChIKey: HFHIYTATGCVPQT-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 528.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1897.85
LogP ≤ 5	13.18
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 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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 158462026) is 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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.CCCC(=O)N1CC(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=C(Nc1cn(C2CN(CC(F)(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO.

What is the InChIKey of 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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 HFHIYTATGCVPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23N7O3.2C21H18F3N7O2.2CH2O2/c1-14(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;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;2*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/h3-10,13-14,16H,11-12H2,1-2H3,(H,25,26)(H,27,31);3-4,6-11,14,16H,2,5,12-13H2,1H3,(H,25,26)(H,27,32);2*1-8,11,14H,9-10,12H2,(H,26,27)(H,28,32);2*1H,(H,2,3).

What are the key properties of 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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)?

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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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 1897.85 g/mol, XLogP of 13.18, 25 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(2-methylpropanoyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(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 158462026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).