6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one

C105H102N38O11 — CID 159980387

About 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one

6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one (PubChem CID 159980387) has the molecular formula C105H102N38O11 and a molecular weight of 2072.23 g/mol. Its IUPAC name is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
• PubChem CID: 159980387
• Molecular Formula: C105H102N38O11
• Molecular Weight: 2072.23 g/mol
• Exact Mass: 2070.86
• IUPAC Name: 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
• SMILES: CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4c(=O)[nH][nH]c4c3)n2)CC1.Cc1cc(Nc2cc(-c3c(C)cccc3C)nc(Oc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cc(-c3ccccc3)nc(Oc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Oc2ccc3c(=O)[nH][nH]c3c2)n1.O=c1[nH][nH]c2cc(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)ccc12
• InChI: InChI=1S/C23H21N7O2.C22H25N9O2.C21H22N8O3.C21H17N7O2.C18H17N7O2/c1-12-5-4-6-13(2)21(12)18-11-19(25-20-9-14(3)27-29-20)26-23(24-18)32-15-7-8-16-17(10-15)28-30-22(16)31;1-30-6-8-31(9-7-30)20-12-18(23-19-11-16(26-28-19)13-2-3-13)24-22(25-20)33-14-4-5-15-17(10-14)27-29-21(15)32;30-20-14-4-3-13(9-16(14)26-28-20)32-21-23-17(11-19(24-21)29-5-7-31-8-6-29)22-18-10-15(25-27-18)12-1-2-12;1-12-9-19(27-25-12)23-18-11-16(13-5-3-2-4-6-13)22-21(24-18)30-14-7-8-15-17(10-14)26-28-20(15)29;1-9-6-15(20-16-8-13(22-24-16)10-2-3-10)21-18(19-9)27-11-4-5-12-14(7-11)23-25-17(12)26/h4-11H,1-3H3,(H2,28,30,31)(H2,24,25,26,27,29);4-5,10-13H,2-3,6-9H2,1H3,(H2,27,29,32)(H2,23,24,25,26,28);3-4,9-12H,1-2,5-8H2,(H2,26,28,30)(H2,22,23,24,25,27);2-11H,1H3,(H2,26,28,29)(H2,22,23,24,25,27);4-8,10H,2-3H2,1H3,(H2,23,25,26)(H2,19,20,21,22,24)
• InChIKey: OFRMPVRSDVNMKL-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 640.80 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2072.23
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?

The IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one (CID 159980387) is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one.

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

The canonical SMILES for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one is CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(Oc3ccc4c(=O)[nH][nH]c4c3)n2)CC1.Cc1cc(Nc2cc(-c3c(C)cccc3C)nc(Oc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cc(-c3ccccc3)nc(Oc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Oc2ccc3c(=O)[nH][nH]c3c2)n1.O=c1[nH][nH]c2cc(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)ccc12.

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

The InChIKey is OFRMPVRSDVNMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2.C22H25N9O2.C21H22N8O3.C21H17N7O2.C18H17N7O2/c1-12-5-4-6-13(2)21(12)18-11-19(25-20-9-14(3)27-29-20)26-23(24-18)32-15-7-8-16-17(10-15)28-30-22(16)31;1-30-6-8-31(9-7-30)20-12-18(23-19-11-16(26-28-19)13-2-3-13)24-22(25-20)33-14-4-5-15-17(10-14)27-29-21(15)32;30-20-14-4-3-13(9-16(14)26-28-20)32-21-23-17(11-19(24-21)29-5-7-31-8-6-29)22-18-10-15(25-27-18)12-1-2-12;1-12-9-19(27-25-12)23-18-11-16(13-5-3-2-4-6-13)22-21(24-18)30-14-7-8-15-17(10-14)26-28-20(15)29;1-9-6-15(20-16-8-13(22-24-16)10-2-3-10)21-18(19-9)27-11-4-5-12-14(7-11)23-25-17(12)26/h4-11H,1-3H3,(H2,28,30,31)(H2,24,25,26,27,29);4-5,10-13H,2-3,6-9H2,1H3,(H2,27,29,32)(H2,23,24,25,26,28);3-4,9-12H,1-2,5-8H2,(H2,26,28,30)(H2,22,23,24,25,27);2-11H,1H3,(H2,26,28,29)(H2,22,23,24,25,27);4-8,10H,2-3H2,1H3,(H2,23,25,26)(H2,19,20,21,22,24).

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

6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one has a molecular weight of 2072.23 g/mol, XLogP of 16.62, 27 rotatable bonds, 20 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-(2,6-dimethylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159980387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).