6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one

C104H91N37O12S5 — CID 159487462

About 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one

6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (PubChem CID 159487462) has the molecular formula C104H91N37O12S5 and a molecular weight of 2211.45 g/mol. Its IUPAC name is 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
• PubChem CID: 159487462
• Molecular Formula: C104H91N37O12S5
• Molecular Weight: 2211.45 g/mol
• Exact Mass: 2209.63
• IUPAC Name: 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
• SMILES: COc1ccc2c(Nc3cc(C)[nH]n3)nc(Sc3ccc4c(=O)[nH][nH]c4c3)cc2c1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3c(O)cccc23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3cc(NO)ccc23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3cc(OCCCN4CCOCC4)ccc23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3cc([N+](=O)[O-])ccc23)n[nH]1
• InChI: InChI=1S/C26H28N8O3S.C21H18N6O2S.C19H14N8O3S.C19H16N8O2S.C19H15N7O2S/c1-16-13-23(32-30-16)28-24-19-5-3-17(37-10-2-7-34-8-11-36-12-9-34)14-21(19)27-26(29-24)38-18-4-6-20-22(15-18)31-33-25(20)35;1-11-7-18(26-24-11)22-20-15-5-3-13(29-2)8-12(15)9-19(23-20)30-14-4-6-16-17(10-14)25-27-21(16)28;1-9-6-16(25-23-9)21-17-12-4-2-10(27(29)30)7-14(12)20-19(22-17)31-11-3-5-13-15(8-11)24-26-18(13)28;1-9-6-16(25-23-9)21-17-12-4-2-10(27-29)7-14(12)20-19(22-17)30-11-3-5-13-15(8-11)24-26-18(13)28;1-9-7-15(25-23-9)20-17-12-3-2-4-14(27)16(12)21-19(22-17)29-10-5-6-11-13(8-10)24-26-18(11)28/h3-6,13-15H,2,7-12H2,1H3,(H2,31,33,35)(H2,27,28,29,30,32);3-10H,1-2H3,(H2,25,27,28)(H2,22,23,24,26);2-8H,1H3,(H2,24,26,28)(H2,20,21,22,23,25);2-8,27,29H,1H3,(H2,24,26,28)(H2,20,21,22,23,25);2-8,27H,1H3,(H2,24,26,28)(H2,20,21,22,23,25)
• InChIKey: LXTJKZKGQDRASO-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 689.37 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2211.45
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?

The IUPAC name of 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (CID 159487462) is 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is COc1ccc2c(Nc3cc(C)[nH]n3)nc(Sc3ccc4c(=O)[nH][nH]c4c3)cc2c1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3c(O)cccc23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3cc(NO)ccc23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3cc(OCCCN4CCOCC4)ccc23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)nc3cc([N+](=O)[O-])ccc23)n[nH]1.

What is the InChIKey of 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?

The InChIKey is LXTJKZKGQDRASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O3S.C21H18N6O2S.C19H14N8O3S.C19H16N8O2S.C19H15N7O2S/c1-16-13-23(32-30-16)28-24-19-5-3-17(37-10-2-7-34-8-11-36-12-9-34)14-21(19)27-26(29-24)38-18-4-6-20-22(15-18)31-33-25(20)35;1-11-7-18(26-24-11)22-20-15-5-3-13(29-2)8-12(15)9-19(23-20)30-14-4-6-16-17(10-14)25-27-21(16)28;1-9-6-16(25-23-9)21-17-12-4-2-10(27(29)30)7-14(12)20-19(22-17)31-11-3-5-13-15(8-11)24-26-18(13)28;1-9-6-16(25-23-9)21-17-12-4-2-10(27-29)7-14(12)20-19(22-17)30-11-3-5-13-15(8-11)24-26-18(13)28;1-9-7-15(25-23-9)20-17-12-3-2-4-14(27)16(12)21-19(22-17)29-10-5-6-11-13(8-10)24-26-18(11)28/h3-6,13-15H,2,7-12H2,1H3,(H2,31,33,35)(H2,27,28,29,30,32);3-10H,1-2H3,(H2,25,27,28)(H2,22,23,24,26);2-8H,1H3,(H2,24,26,28)(H2,20,21,22,23,25);2-8,27,29H,1H3,(H2,24,26,28)(H2,20,21,22,23,25);2-8,27H,1H3,(H2,24,26,28)(H2,20,21,22,23,25).

What are the key properties of 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?

6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one has a molecular weight of 2211.45 g/mol, XLogP of 18.76, 28 rotatable bonds, 23 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-(hydroxyamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[8-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[6-methoxy-1-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-3-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one;6-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159487462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).