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

C108H95N41O11 — CID 159521800

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

6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 159521800) has the molecular formula C108H95N41O11 and a molecular weight of 2143.22 g/mol. Its IUPAC name is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
• PubChem CID: 159521800
• Molecular Formula: C108H95N41O11
• Molecular Weight: 2143.22 g/mol
• Exact Mass: 2141.81
• IUPAC Name: 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
• SMILES: COc1cc(-c2cc(Nc3cc(C)[nH]n3)nc(Nc3ccc4c(=O)[nH][nH]c4c3)n2)cc(OC)c1OC.Cc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)nc(Nc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cc(-c3ccccc3)nc(Nc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4)n3)ccc12
• InChI: InChI=1S/C24H24N8O4.C23H20N8O.C21H17N9O3.C21H18N8O.C19H16N8O2/c1-12-7-21(31-29-12)27-20-11-16(13-8-18(34-2)22(36-4)19(9-13)35-3)26-24(28-20)25-14-5-6-15-17(10-14)30-32-23(15)33;32-22-16-9-8-15(10-19(16)29-31-22)24-23-25-17(13-4-2-1-3-5-13)11-20(27-23)26-21-12-18(28-30-21)14-6-7-14;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;1-12-9-19(28-26-12)24-18-11-16(13-5-3-2-4-6-13)23-21(25-18)22-14-7-8-15-17(10-14)27-29-20(15)30;1-10-7-16(22-17-9-14(25-26-17)15-3-2-6-29-15)23-19(20-10)21-11-4-5-12-13(8-11)24-27-18(12)28/h5-11H,1-4H3,(H2,30,32,33)(H3,25,26,27,28,29,31);1-5,8-12,14H,6-7H2,(H2,29,31,32)(H3,24,25,26,27,28,30);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);2-9H,1H3,(H2,24,27,28)(H3,20,21,22,23,25,26)
• InChIKey: MBWYGDMPYCEBLF-UHFFFAOYSA-N
• XLogP: 19.26
• TPSA: 719.82 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2143.22
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	36

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-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?

The IUPAC name of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 159521800) is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one.

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

The canonical SMILES for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is COc1cc(-c2cc(Nc3cc(C)[nH]n3)nc(Nc3ccc4c(=O)[nH][nH]c4c3)n2)cc(OC)c1OC.Cc1cc(Nc2cc(-c3cccc([N+](=O)[O-])c3)nc(Nc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cc(-c3ccccc3)nc(Nc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4)n3)ccc12.

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

The InChIKey is MBWYGDMPYCEBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O4.C23H20N8O.C21H17N9O3.C21H18N8O.C19H16N8O2/c1-12-7-21(31-29-12)27-20-11-16(13-8-18(34-2)22(36-4)19(9-13)35-3)26-24(28-20)25-14-5-6-15-17(10-14)30-32-23(15)33;32-22-16-9-8-15(10-19(16)29-31-22)24-23-25-17(13-4-2-1-3-5-13)11-20(27-23)26-21-12-18(28-30-21)14-6-7-14;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;1-12-9-19(28-26-12)24-18-11-16(13-5-3-2-4-6-13)23-21(25-18)22-14-7-8-15-17(10-14)27-29-20(15)30;1-10-7-16(22-17-9-14(25-26-17)15-3-2-6-29-15)23-19(20-10)21-11-4-5-12-13(8-11)24-27-18(12)28/h5-11H,1-4H3,(H2,30,32,33)(H3,25,26,27,28,29,31);1-5,8-12,14H,6-7H2,(H2,29,31,32)(H3,24,25,26,27,28,30);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);2-9H,1H3,(H2,24,27,28)(H3,20,21,22,23,25,26).

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

6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 2143.22 g/mol, XLogP of 19.26, 30 rotatable bonds, 25 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159521800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).