(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone

C36H48N8O6S2 — CID 157219823

About (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone (PubChem CID 157219823) has the molecular formula C36H48N8O6S2 and a molecular weight of 752.96 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone.

Molecular Properties

• Compound Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone
• PubChem CID: 157219823
• Molecular Formula: C36H48N8O6S2
• Molecular Weight: 752.96 g/mol
• Exact Mass: 752.31
• IUPAC Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone
• SMILES: Cc1cc2c(n1S(C)(=O)=O)CCCC2C(=O)n1nc(N)c2c1CCCC2.Cc1cc2c(n1S(C)(=O)=O)CCCC2C(=O)n1nc2c(c1N)CCCC2
• InChI: InChI=1S/2C18H24N4O3S/c1-11-10-14-12(7-5-9-16(14)22(11)26(2,24)25)18(23)21-15-8-4-3-6-13(15)17(19)20-21;1-11-10-14-12(7-5-9-16(14)22(11)26(2,24)25)18(23)21-17(19)13-6-3-4-8-15(13)20-21/h10,12H,3-9H2,1-2H3,(H2,19,20);10,12H,3-9,19H2,1-2H3
• InChIKey: ASVRVWSNJWOYHV-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 199.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.96
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone?

The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone (CID 157219823) is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone.

What is the SMILES notation for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone?

The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone is Cc1cc2c(n1S(C)(=O)=O)CCCC2C(=O)n1nc(N)c2c1CCCC2.Cc1cc2c(n1S(C)(=O)=O)CCCC2C(=O)n1nc2c(c1N)CCCC2.

What is the InChIKey of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone?

The InChIKey is ASVRVWSNJWOYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H24N4O3S/c1-11-10-14-12(7-5-9-16(14)22(11)26(2,24)25)18(23)21-15-8-4-3-6-13(15)17(19)20-21;1-11-10-14-12(7-5-9-16(14)22(11)26(2,24)25)18(23)21-17(19)13-6-3-4-8-15(13)20-21/h10,12H,3-9H2,1-2H3,(H2,19,20);10,12H,3-9,19H2,1-2H3.

What are the key properties of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone?

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone has a molecular weight of 752.96 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2-methyl-1-methylsulfonyl-4,5,6,7-tetrahydroindol-4-yl)methanone is sourced from PubChem (CID 157219823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).