1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol

C29H40ClN7O — CID 166543246

About 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol

1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol (PubChem CID 166543246) has the molecular formula C29H40ClN7O and a molecular weight of 538.14 g/mol. Its IUPAC name is 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol
• PubChem CID: 166543246
• Molecular Formula: C29H40ClN7O
• Molecular Weight: 538.14 g/mol
• Exact Mass: 537.30
• IUPAC Name: 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol
• SMILES: Cc1cc2[nH]ncc2c(-c2c(N3CCN(CC(C)(C)O)CC34CCC4)nn(C3CC4(CNC4)C3)c2C)c1Cl
• InChI: InChI=1S/C29H40ClN7O/c1-18-10-22-21(13-32-33-22)24(25(18)30)23-19(2)37(20-11-28(12-20)14-31-15-28)34-26(23)36-9-8-35(16-27(3,4)38)17-29(36)6-5-7-29/h10,13,20,31,38H,5-9,11-12,14-17H2,1-4H3,(H,32,33)
• InChIKey: IRNIAAMKIQBZMN-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 85.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.14
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol (CID 166543246) is 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol is Cc1cc2[nH]ncc2c(-c2c(N3CCN(CC(C)(C)O)CC34CCC4)nn(C3CC4(CNC4)C3)c2C)c1Cl.

What is the InChIKey of 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol?

The InChIKey is IRNIAAMKIQBZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40ClN7O/c1-18-10-22-21(13-32-33-22)24(25(18)30)23-19(2)37(20-11-28(12-20)14-31-15-28)34-26(23)36-9-8-35(16-27(3,4)38)17-29(36)6-5-7-29/h10,13,20,31,38H,5-9,11-12,14-17H2,1-4H3,(H,32,33).

What are the key properties of 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol?

1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol has a molecular weight of 538.14 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[1-(2-azaspiro[3.3]heptan-6-yl)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methylpyrazol-3-yl]-5,8-diazaspiro[3.5]nonan-8-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 166543246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).