(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine

C43H57N9O4S3 — CID 159291393

About (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 159291393) has the molecular formula C43H57N9O4S3 and a molecular weight of 860.19 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

• Compound Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine
• PubChem CID: 159291393
• Molecular Formula: C43H57N9O4S3
• Molecular Weight: 860.19 g/mol
• Exact Mass: 859.37
• IUPAC Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine
• SMILES: C.Cc1csc(C)c1C(=O)O.Cc1csc(C)c1C(=O)n1nc(N)c2c1CCCC2.Cc1csc(C)c1C(=O)n1nc2c(c1N)CCCC2.Nc1n[nH]c2c1CCCC2
• InChI: InChI=1S/2C14H17N3OS.C7H11N3.C7H8O2S.CH4/c1-8-7-19-9(2)12(8)14(18)17-11-6-4-3-5-10(11)13(15)16-17;1-8-7-19-9(2)12(8)14(18)17-13(15)10-5-3-4-6-11(10)16-17;8-7-5-3-1-2-4-6(5)9-10-7;1-4-3-10-5(2)6(4)7(8)9;/h7H,3-6H2,1-2H3,(H2,15,16);7H,3-6,15H2,1-2H3;1-4H2,(H3,8,9,10);3H,1-2H3,(H,8,9);1H4
• InChIKey: LAEAUJGSGLYCCB-UHFFFAOYSA-N
• XLogP: 8.99
• TPSA: 213.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	860.19
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine?

The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 159291393) is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine.

What is the SMILES notation for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine?

The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine is C.Cc1csc(C)c1C(=O)O.Cc1csc(C)c1C(=O)n1nc(N)c2c1CCCC2.Cc1csc(C)c1C(=O)n1nc2c(c1N)CCCC2.Nc1n[nH]c2c1CCCC2.

What is the InChIKey of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine?

The InChIKey is LAEAUJGSGLYCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H17N3OS.C7H11N3.C7H8O2S.CH4/c1-8-7-19-9(2)12(8)14(18)17-11-6-4-3-5-10(11)13(15)16-17;1-8-7-19-9(2)12(8)14(18)17-13(15)10-5-3-4-6-11(10)16-17;8-7-5-3-1-2-4-6(5)9-10-7;1-4-3-10-5(2)6(4)7(8)9;/h7H,3-6H2,1-2H3,(H2,15,16);7H,3-6,15H2,1-2H3;1-4H2,(H3,8,9,10);3H,1-2H3,(H,8,9);1H4.

What are the key properties of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine?

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 860.19 g/mol, XLogP of 8.99, 3 rotatable bonds, 5 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)-(2,4-dimethylthiophen-3-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,4-dimethylthiophen-3-yl)methanone;2,4-dimethylthiophene-3-carboxylic acid;methane;4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 159291393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).