tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C24H28N4O7 — CID 158828745

About tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 158828745) has the molecular formula C24H28N4O7 and a molecular weight of 484.51 g/mol. Its IUPAC name is tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
• PubChem CID: 158828745
• Molecular Formula: C24H28N4O7
• Molecular Weight: 484.51 g/mol
• Exact Mass: 484.20
• IUPAC Name: tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
• SMILES: COC(=O)c1cc(C(=O)O)nc2cc(=O)[nH]n12.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2N
• InChI: InChI=1S/C15H21NO2.C9H7N3O5/c1-9-10-7-8-13(16)12(10)6-5-11(9)14(17)18-15(2,3)4;1-17-9(16)5-2-4(8(14)15)10-6-3-7(13)11-12(5)6/h5-6,13H,7-8,16H2,1-4H3;2-3H,1H3,(H,11,13)(H,14,15)/t13-;/m0./s1
• InChIKey: IWTZBGSHIMMTHN-ZOWNYOTGSA-N
• XLogP: 2.40
• TPSA: 166.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.51
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

The IUPAC name of tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 158828745) is tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

What is the SMILES notation for tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

The canonical SMILES for tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is COC(=O)c1cc(C(=O)O)nc2cc(=O)[nH]n12.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2N.

What is the InChIKey of tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

The InChIKey is IWTZBGSHIMMTHN-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H21NO2.C9H7N3O5/c1-9-10-7-8-13(16)12(10)6-5-11(9)14(17)18-15(2,3)4;1-17-9(16)5-2-4(8(14)15)10-6-3-7(13)11-12(5)6/h5-6,13H,7-8,16H2,1-4H3;2-3H,1H3,(H,11,13)(H,14,15)/t13-;/m0./s1.

What are the key properties of tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 484.51 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-methoxycarbonyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 158828745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).