4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one

C107H123BrN18O7 — CID 159499266

About 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one

4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one (PubChem CID 159499266) has the molecular formula C107H123BrN18O7 and a molecular weight of 1853.18 g/mol. Its IUPAC name is 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one.

Molecular Properties

• Compound Name: 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
• PubChem CID: 159499266
• Molecular Formula: C107H123BrN18O7
• Molecular Weight: 1853.18 g/mol
• Exact Mass: 1850.90
• IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one
• SMILES: Cc1[nH]nc2c1C(C)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C1CC1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1ccc(Br)cn1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1cccc3nonc13)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1ccn[nH]1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1ccncc1)C1=C(C2)CC(C)(C)CC1=O
• InChI: InChI=1S/C20H20N4O2.C19H20BrN3O.C19H21N3O.C17H20N4O.C17H22N2O.C15H20N2O/c1-10-16-14(22-21-10)7-11-8-20(2,3)9-15(25)17(11)18(16)12-5-4-6-13-19(12)24-26-23-13;1-10-16-14(23-22-10)6-11-7-19(2,3)8-15(24)17(11)18(16)13-5-4-12(20)9-21-13;1-11-16-14(22-21-11)8-13-9-19(2,3)10-15(23)17(13)18(16)12-4-6-20-7-5-12;1-9-14-12(21-19-9)6-10-7-17(2,3)8-13(22)15(10)16(14)11-4-5-18-20-11;1-9-14-12(19-18-9)6-11-7-17(2,3)8-13(20)15(11)16(14)10-4-5-10;1-8-13-9(2)16-17-11(13)5-10-6-15(3,4)7-12(18)14(8)10/h4-6,18H,7-9H2,1-3H3,(H,21,22);4-5,9,18H,6-8H2,1-3H3,(H,22,23);4-7,18H,8-10H2,1-3H3,(H,21,22);4-5,16H,6-8H2,1-3H3,(H,18,20)(H,19,21);10,16H,4-8H2,1-3H3,(H,18,19);8H,5-7H2,1-4H3,(H,16,17)
• InChIKey: LZEGTKJVTCEORP-UHFFFAOYSA-N
• XLogP: 20.70
• TPSA: 367.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 5
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1853.18
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?

The IUPAC name of 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one (CID 159499266) is 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one.

What is the SMILES notation for 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?

The canonical SMILES for 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one is Cc1[nH]nc2c1C(C)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(C1CC1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1ccc(Br)cn1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1cccc3nonc13)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1ccn[nH]1)C1=C(C2)CC(C)(C)CC1=O.Cc1[nH]nc2c1C(c1ccncc1)C1=C(C2)CC(C)(C)CC1=O.

What is the InChIKey of 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?

The InChIKey is LZEGTKJVTCEORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.C19H20BrN3O.C19H21N3O.C17H20N4O.C17H22N2O.C15H20N2O/c1-10-16-14(22-21-10)7-11-8-20(2,3)9-15(25)17(11)18(16)12-5-4-6-13-19(12)24-26-23-13;1-10-16-14(23-22-10)6-11-7-19(2,3)8-15(24)17(11)18(16)13-5-4-12(20)9-21-13;1-11-16-14(22-21-11)8-13-9-19(2,3)10-15(23)17(13)18(16)12-4-6-20-7-5-12;1-9-14-12(21-19-9)6-10-7-17(2,3)8-13(22)15(10)16(14)11-4-5-18-20-11;1-9-14-12(19-18-9)6-11-7-17(2,3)8-13(20)15(11)16(14)10-4-5-10;1-8-13-9(2)16-17-11(13)5-10-6-15(3,4)7-12(18)14(8)10/h4-6,18H,7-9H2,1-3H3,(H,21,22);4-5,9,18H,6-8H2,1-3H3,(H,22,23);4-7,18H,8-10H2,1-3H3,(H,21,22);4-5,16H,6-8H2,1-3H3,(H,18,20)(H,19,21);10,16H,4-8H2,1-3H3,(H,18,19);8H,5-7H2,1-4H3,(H,16,17).

What are the key properties of 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one?

4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one has a molecular weight of 1853.18 g/mol, XLogP of 20.70, 5 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,1,3-benzoxadiazol-4-yl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-(5-bromo-2-pyridinyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;4-cyclopropyl-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,4,7,7-tetramethyl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-(1H-pyrazol-5-yl)-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one;3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-benzo[f]indazol-5-one is sourced from PubChem (CID 159499266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).