bis(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)

C88H80F4N28O14 — CID 158290648

About bis(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)

bis(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 158290648) has the molecular formula C88H80F4N28O14 and a molecular weight of 1829.78 g/mol. Its IUPAC name is bis(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: bis(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: 158290648
• Molecular Formula: C88H80F4N28O14
• Molecular Weight: 1829.78 g/mol
• Exact Mass: 1828.63
• IUPAC Name: bis(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: 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=C(Nc1cn(C2CN(C(=O)C3CC3(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO
• InChI: InChI=1S/2C23H19F2N7O3.2C20H19N7O2.2CH2O2/c2*24-23(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;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/h2*1-6,8-9,12,14-15H,7,10-11H2,(H,27,28)(H,29,33);2*2-9,12,14H,10-11H2,1H3,(H,22,23)(H,24,28);2*1H,(H,2,3)
• InChIKey: GLHPSXKLCWJQMP-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 528.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1829.78
LogP ≤ 5	11.17
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 bis(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 bis(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 158290648) is bis(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 bis(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 bis(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 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=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 bis(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 GLHPSXKLCWJQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19F2N7O3.2C20H19N7O2.2CH2O2/c2*24-23(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;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/h2*1-6,8-9,12,14-15H,7,10-11H2,(H,27,28)(H,29,33);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 bis(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)?

bis(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 1829.78 g/mol, XLogP of 11.17, 22 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(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 158290648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).