2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

C21H26N4O2 — CID 67407052

About 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 67407052) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
• PubChem CID: 67407052
• Molecular Formula: C21H26N4O2
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.21
• IUPAC Name: 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
• SMILES: Cc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)O)CC3)C2)c1
• InChI: InChI=1S/C21H26N4O2/c1-15-11-22-25(12-15)17-3-4-18-16(10-17)2-5-19(18)24-13-21(14-24)6-8-23(9-7-21)20(26)27/h3-4,10-12,19H,2,5-9,13-14H2,1H3,(H,26,27)/t19-/m1/s1
• InChIKey: YJEIRDGIDDGYIS-LJQANCHMSA-N
• XLogP: 3.24
• TPSA: 61.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

The IUPAC name of 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 67407052) is 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

What is the SMILES notation for 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

The canonical SMILES for 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is Cc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)O)CC3)C2)c1.

What is the InChIKey of 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

The InChIKey is YJEIRDGIDDGYIS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-11-22-25(12-15)17-3-4-18-16(10-17)2-5-19(18)24-13-21(14-24)6-8-23(9-7-21)20(26)27/h3-4,10-12,19H,2,5-9,13-14H2,1H3,(H,26,27)/t19-/m1/s1.

What are the key properties of 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 366.47 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 67407052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).