(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride

C37H51ClN8O3 — CID 157235547

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

(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride (PubChem CID 157235547) has the molecular formula C37H51ClN8O3 and a molecular weight of 691.32 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride.

Molecular Properties

• Compound Name: (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
• PubChem CID: 157235547
• Molecular Formula: C37H51ClN8O3
• Molecular Weight: 691.32 g/mol
• Exact Mass: 690.38
• IUPAC Name: (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
• SMILES: C.Cc1ccc2c(c1)NCCC2C(=O)O.Cc1ccc2c(c1)NCCC2C(=O)n1nc2c(c1N)CCCC2.Cl.Nc1n[nH]c2c1CCCC2
• InChI: InChI=1S/C18H22N4O.C11H13NO2.C7H11N3.CH4.ClH/c1-11-6-7-12-13(8-9-20-16(12)10-11)18(23)22-17(19)14-4-2-3-5-15(14)21-22;1-7-2-3-8-9(11(13)14)4-5-12-10(8)6-7;8-7-5-3-1-2-4-6(5)9-10-7;;/h6-7,10,13,20H,2-5,8-9,19H2,1H3;2-3,6,9,12H,4-5H2,1H3,(H,13,14);1-4H2,(H3,8,9,10);1H4;1H
• InChIKey: VTAWSHVUTKGEPY-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 176.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	691.32
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride (CID 157235547) is (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride.

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

The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride is C.Cc1ccc2c(c1)NCCC2C(=O)O.Cc1ccc2c(c1)NCCC2C(=O)n1nc2c(c1N)CCCC2.Cl.Nc1n[nH]c2c1CCCC2.

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

The InChIKey is VTAWSHVUTKGEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.C11H13NO2.C7H11N3.CH4.ClH/c1-11-6-7-12-13(8-9-20-16(12)10-11)18(23)22-17(19)14-4-2-3-5-15(14)21-22;1-7-2-3-8-9(11(13)14)4-5-12-10(8)6-7;8-7-5-3-1-2-4-6(5)9-10-7;;/h6-7,10,13,20H,2-5,8-9,19H2,1H3;2-3,6,9,12H,4-5H2,1H3,(H,13,14);1-4H2,(H3,8,9,10);1H4;1H.

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

(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride has a molecular weight of 691.32 g/mol, XLogP of 6.80, 2 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride is sourced from PubChem (CID 157235547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).