N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide)

C88H84F2N28O14 — CID 158644068

About N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide) (PubChem CID 158644068) has the molecular formula C88H84F2N28O14 and a molecular weight of 1795.82 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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide)
• PubChem CID: 158644068
• Molecular Formula: C88H84F2N28O14
• Molecular Weight: 1795.82 g/mol
• Exact Mass: 1794.67
• IUPAC Name: N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide)
• SMILES: CCCC(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CN1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CN1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.O=C(Nc1cn(C2CN(C(=O)C3CC3(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO
• InChI: InChI=1S/C23H19F2N7O3.C23H23N7O3.2C20H19N7O2.2CH2O2/c24-23(25)7-15(23)22(34)31-10-14(11-31)32-12-17(20(30-32)16-3-1-2-6-26-16)29-21(33)19-5-4-18(35-19)13-8-27-28-9-13;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*1-26-10-14(11-26)27-12-16(19(25-27)15-4-2-3-7-21-15)24-20(28)18-6-5-17(29-18)13-8-22-23-9-13;2*2-1-3/h1-6,8-9,12,14-15H,7,10-11H2,(H,27,28)(H,29,33);3-4,6-11,14,16H,2,5,12-13H2,1H3,(H,25,26)(H,27,32);2*2-9,12,14H,10-11H2,1H3,(H,22,23)(H,24,28);2*1H,(H,2,3)
• InChIKey: IATATOZESQWOCX-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 528.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1795.82
LogP ≤ 5	11.32
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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide) (CID 158644068) is N-[1-(1-butanoylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide) is CCCC(=O)N1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CN1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CN1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.O=C(Nc1cn(C2CN(C(=O)C3CC3(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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide)?

The InChIKey is IATATOZESQWOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O3.C23H23N7O3.2C20H19N7O2.2CH2O2/c24-23(25)7-15(23)22(34)31-10-14(11-31)32-12-17(20(30-32)16-3-1-2-6-26-16)29-21(33)19-5-4-18(35-19)13-8-27-28-9-13;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*1-26-10-14(11-26)27-12-16(19(25-27)15-4-2-3-7-21-15)24-20(28)18-6-5-17(29-18)13-8-22-23-9-13;2*2-1-3/h1-6,8-9,12,14-15H,7,10-11H2,(H,27,28)(H,29,33);3-4,6-11,14,16H,2,5,12-13H2,1H3,(H,25,26)(H,27,32);2*2-9,12,14H,10-11H2,1H3,(H,22,23)(H,24,28);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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide) has a molecular weight of 1795.82 g/mol, XLogP of 11.32, 23 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;N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;bis(N-[1-(1-methylazetidin-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide) is sourced from PubChem (CID 158644068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).