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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C68H61F4N21O11 — CID 157080892

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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 157080892) has the molecular formula C68H61F4N21O11 and a molecular weight of 1424.36 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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
• PubChem CID: 157080892
• Molecular Formula: C68H61F4N21O11
• Molecular Weight: 1424.36 g/mol
• Exact Mass: 1423.48
• 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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
• SMILES: Cn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccc(N3CCOCC3)cn2)n1.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
• InChI: InChI=1S/2C23H19F2N7O3.C21H21N7O3.CH2O2/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;1-27-13-17(25-21(29)19-5-4-18(31-19)14-10-23-24-11-14)20(26-27)16-3-2-15(12-22-16)28-6-8-30-9-7-28;2-1-3/h2*1-6,8-9,12,14-15H,7,10-11H2,(H,27,28)(H,29,33);2-5,10-13H,6-9H2,1H3,(H,23,24)(H,25,29);1H,(H,2,3)
• InChIKey: ADNHSKXTQONBSO-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 395.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1424.36
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 157080892) 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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is Cn1cc(NC(=O)c2ccc(-c3cn[nH]c3)o2)c(-c2ccc(N3CCOCC3)cn2)n1.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.

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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?

The InChIKey is ADNHSKXTQONBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19F2N7O3.C21H21N7O3.CH2O2/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;1-27-13-17(25-21(29)19-5-4-18(31-19)14-10-23-24-11-14)20(26-27)16-3-2-15(12-22-16)28-6-8-30-9-7-28;2-1-3/h2*1-6,8-9,12,14-15H,7,10-11H2,(H,27,28)(H,29,33);2-5,10-13H,6-9H2,1H3,(H,23,24)(H,25,29);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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 1424.36 g/mol, XLogP of 8.69, 17 rotatable bonds, 7 hydrogen bond donors, and 23 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;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 157080892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).