(7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane

C69H76N12O6 — CID 157168196

About (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane

(7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane (PubChem CID 157168196) has the molecular formula C69H76N12O6 and a molecular weight of 1169.44 g/mol. Its IUPAC name is (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane.

Molecular Properties

• Compound Name: (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane
• PubChem CID: 157168196
• Molecular Formula: C69H76N12O6
• Molecular Weight: 1169.44 g/mol
• Exact Mass: 1168.60
• IUPAC Name: (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane
• SMILES: C.CC1(O)C2CCCCC2=NN1C(=O)c1cccc2[nH]ccc12.CC1=NN(C(=O)c2cccc3[nH]ccc23)C2(O)CCCCC12.Cc1c2c(nn1C(=O)c1cccc3[nH]ccc13)CCCC2.Cc1nn(C(=O)c2cccc3[nH]ccc23)c2c1CCCC2
• InChI: InChI=1S/2C17H19N3O2.2C17H17N3O.CH4/c1-11-14-6-2-3-9-17(14,22)20(19-11)16(21)13-5-4-7-15-12(13)8-10-18-15;1-17(22)13-6-2-3-7-15(13)19-20(17)16(21)12-5-4-8-14-11(12)9-10-18-14;1-11-12-5-2-3-8-16(12)20(19-11)17(21)14-6-4-7-15-13(14)9-10-18-15;1-11-12-5-2-3-7-16(12)19-20(11)17(21)14-6-4-8-15-13(14)9-10-18-15;/h4-5,7-8,10,14,18,22H,2-3,6,9H2,1H3;4-5,8-10,13,18,22H,2-3,6-7H2,1H3;4,6-7,9-10,18H,2-3,5,8H2,1H3;4,6,8-10,18H,2-3,5,7H2,1H3;1H4
• InChIKey: ANDVABQOCOFVLP-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 238.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1169.44
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane?

The IUPAC name of (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane (CID 157168196) is (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane.

What is the SMILES notation for (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane?

The canonical SMILES for (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane is C.CC1(O)C2CCCCC2=NN1C(=O)c1cccc2[nH]ccc12.CC1=NN(C(=O)c2cccc3[nH]ccc23)C2(O)CCCCC12.Cc1c2c(nn1C(=O)c1cccc3[nH]ccc13)CCCC2.Cc1nn(C(=O)c2cccc3[nH]ccc23)c2c1CCCC2.

What is the InChIKey of (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane?

The InChIKey is ANDVABQOCOFVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19N3O2.2C17H17N3O.CH4/c1-11-14-6-2-3-9-17(14,22)20(19-11)16(21)13-5-4-7-15-12(13)8-10-18-15;1-17(22)13-6-2-3-7-15(13)19-20(17)16(21)12-5-4-8-14-11(12)9-10-18-14;1-11-12-5-2-3-8-16(12)20(19-11)17(21)14-6-4-7-15-13(14)9-10-18-15;1-11-12-5-2-3-7-16(12)19-20(11)17(21)14-6-4-8-15-13(14)9-10-18-15;/h4-5,7-8,10,14,18,22H,2-3,6,9H2,1H3;4-5,8-10,13,18,22H,2-3,6-7H2,1H3;4,6-7,9-10,18H,2-3,5,8H2,1H3;4,6,8-10,18H,2-3,5,7H2,1H3;1H4.

What are the key properties of (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane?

(7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane has a molecular weight of 1169.44 g/mol, XLogP of 12.87, 4 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (7a-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-1-yl)-(1H-indol-4-yl)methanone;(3-hydroxy-3-methyl-4,5,6,7-tetrahydro-3aH-indazol-2-yl)-(1H-indol-4-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)methanone;1H-indol-4-yl-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)methanone;methane is sourced from PubChem (CID 157168196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).