6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one

C92H72N34O9 — CID 162068018

About 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one

6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 162068018) has the molecular formula C92H72N34O9 and a molecular weight of 1797.82 g/mol. Its IUPAC name is 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
• PubChem CID: 162068018
• Molecular Formula: C92H72N34O9
• Molecular Weight: 1797.82 g/mol
• Exact Mass: 1796.62
• IUPAC Name: 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
• SMILES: Cc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)nc(Nc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccccc5)[nH]n4)cc(-c4cccc([N+](=O)[O-])c4)n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)cc(-c4ccccc4)n3)ccc12
• InChI: InChI=1S/C26H19N9O3.C24H18N8O2.C21H17N9O3.C21H18N8O/c36-25-19-10-9-17(12-22(19)32-34-25)27-26-28-20(16-7-4-8-18(11-16)35(37)38)13-23(30-26)29-24-14-21(31-33-24)15-5-2-1-3-6-15;33-23-16-9-8-15(11-18(16)29-32-23)25-24-26-17(14-5-2-1-3-6-14)12-21(28-24)27-22-13-19(30-31-22)20-7-4-10-34-20;1-11-7-19(28-26-11)24-18-10-16(12-3-2-4-14(8-12)30(32)33)23-21(25-18)22-13-5-6-15-17(9-13)27-29-20(15)31;1-12-9-18(24-19-11-16(26-28-19)13-5-3-2-4-6-13)25-21(22-12)23-14-7-8-15-17(10-14)27-29-20(15)30/h1-14H,(H2,32,34,36)(H3,27,28,29,30,31,33);1-13H,(H2,29,32,33)(H3,25,26,27,28,30,31);2-10H,1H3,(H2,27,29,31)(H3,22,23,24,25,26,28);2-11H,1H3,(H2,27,29,30)(H3,22,23,24,25,26,28)
• InChIKey: ZASAICHVAQLEFF-UHFFFAOYSA-N
• XLogP: 17.45
• TPSA: 608.10 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1797.82
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?

The IUPAC name of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 162068018) is 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is Cc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)nc(Nc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccccc5)[nH]n4)cc(-c4cccc([N+](=O)[O-])c4)n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)cc(-c4ccccc4)n3)ccc12.

What is the InChIKey of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?

The InChIKey is ZASAICHVAQLEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N9O3.C24H18N8O2.C21H17N9O3.C21H18N8O/c36-25-19-10-9-17(12-22(19)32-34-25)27-26-28-20(16-7-4-8-18(11-16)35(37)38)13-23(30-26)29-24-14-21(31-33-24)15-5-2-1-3-6-15;33-23-16-9-8-15(11-18(16)29-32-23)25-24-26-17(14-5-2-1-3-6-14)12-21(28-24)27-22-13-19(30-31-22)20-7-4-10-34-20;1-11-7-19(28-26-11)24-18-10-16(12-3-2-4-14(8-12)30(32)33)23-21(25-18)22-13-5-6-15-17(9-13)27-29-20(15)31;1-12-9-18(24-19-11-16(26-28-19)13-5-3-2-4-6-13)25-21(22-12)23-14-7-8-15-17(10-14)27-29-20(15)30/h1-14H,(H2,32,34,36)(H3,27,28,29,30,31,33);1-13H,(H2,29,32,33)(H3,25,26,27,28,30,31);2-10H,1H3,(H2,27,29,31)(H3,22,23,24,25,26,28);2-11H,1H3,(H2,27,29,30)(H3,22,23,24,25,26,28).

What are the key properties of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?

6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 1797.82 g/mol, XLogP of 17.45, 24 rotatable bonds, 20 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-methyl-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-nitrophenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-(3-nitrophenyl)-6-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 162068018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).