6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one

C126H105ClIN49O7 — CID 161286619

About 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one

6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 161286619) has the molecular formula C126H105ClIN49O7 and a molecular weight of 2579.92 g/mol. Its IUPAC name is 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one
• PubChem CID: 161286619
• Molecular Formula: C126H105ClIN49O7
• Molecular Weight: 2579.92 g/mol
• Exact Mass: 2577.81
• IUPAC Name: 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one
• SMILES: Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccc(I)cc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3cccc(C)c23)n[nH]1.Cc1ccc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc(Nc3cc(C)[nH]n3)c2n1.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4)n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4Cl)n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4ccc5c(=O)[nH][nH]c5c4)c4ccccc4n3)ccc12
• InChI: InChI=1S/C23H19ClN8O.C23H20N8O.C22H16N8O2.C20H18N8O.C19H15IN8O.C19H17N9O/c24-16-4-2-1-3-14(16)18-11-20(27-21-10-17(29-31-21)12-5-6-12)28-23(26-18)25-13-7-8-15-19(9-13)30-32-22(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;31-20-14-7-5-11(9-17(14)27-29-20)23-19-13-3-1-2-4-16(13)25-22(26-19)24-12-6-8-15-18(10-12)28-30-21(15)32;1-10-4-3-5-14-17(10)18(23-16-8-11(2)25-27-16)24-20(22-14)21-12-6-7-13-15(9-12)26-28-19(13)29;1-9-6-16(27-25-9)23-17-13-7-10(20)2-5-14(13)22-19(24-17)21-11-3-4-12-15(8-11)26-28-18(12)29;1-9-3-6-13-16(20-9)17(23-15-7-10(2)25-27-15)24-19(22-13)21-11-4-5-12-14(8-11)26-28-18(12)29/h1-4,7-12H,5-6H2,(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);1-10H,(H2,27,29,31)(H2,28,30,32)(H2,23,24,25,26);3-9H,1-2H3,(H2,26,28,29)(H3,21,22,23,24,25,27);2-8H,1H3,(H2,26,28,29)(H3,21,22,23,24,25,27);3-8H,1-2H3,(H2,26,28,29)(H3,21,22,23,24,25,27)
• InChIKey: VFUOMZBMGNNNIY-UHFFFAOYSA-N
• XLogP: 23.48
• TPSA: 795.88 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2579.92
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one?

The IUPAC name of 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one (CID 161286619) is 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one is Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccc(I)cc23)n[nH]1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3cccc(C)c23)n[nH]1.Cc1ccc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc(Nc3cc(C)[nH]n3)c2n1.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4)n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4Cl)n3)ccc12.O=c1[nH][nH]c2cc(Nc3nc(Nc4ccc5c(=O)[nH][nH]c5c4)c4ccccc4n3)ccc12.

What is the InChIKey of 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one?

The InChIKey is VFUOMZBMGNNNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN8O.C23H20N8O.C22H16N8O2.C20H18N8O.C19H15IN8O.C19H17N9O/c24-16-4-2-1-3-14(16)18-11-20(27-21-10-17(29-31-21)12-5-6-12)28-23(26-18)25-13-7-8-15-19(9-13)30-32-22(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;31-20-14-7-5-11(9-17(14)27-29-20)23-19-13-3-1-2-4-16(13)25-22(26-19)24-12-6-8-15-18(10-12)28-30-21(15)32;1-10-4-3-5-14-17(10)18(23-16-8-11(2)25-27-16)24-20(22-14)21-12-6-7-13-15(9-12)26-28-19(13)29;1-9-6-16(27-25-9)23-17-13-7-10(20)2-5-14(13)22-19(24-17)21-11-3-4-12-15(8-11)26-28-18(12)29;1-9-3-6-13-16(20-9)17(23-15-7-10(2)25-27-15)24-19(22-13)21-11-4-5-12-14(8-11)26-28-18(12)29/h1-4,7-12H,5-6H2,(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);1-10H,(H2,27,29,31)(H2,28,30,32)(H2,23,24,25,26);3-9H,1-2H3,(H2,26,28,29)(H3,21,22,23,24,25,27);2-8H,1H3,(H2,26,28,29)(H3,21,22,23,24,25,27);3-8H,1-2H3,(H2,26,28,29)(H3,21,22,23,24,25,27).

What are the key properties of 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one?

6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 2579.92 g/mol, XLogP of 23.48, 28 rotatable bonds, 31 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]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-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 161286619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).