8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile

C25H26F2N8 — CID 170740180

About 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile

8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile (PubChem CID 170740180) has the molecular formula C25H26F2N8 and a molecular weight of 476.54 g/mol. Its IUPAC name is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile.

Molecular Properties

• Compound Name: 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile
• PubChem CID: 170740180
• Molecular Formula: C25H26F2N8
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.22
• IUPAC Name: 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile
• SMILES: CN1CC2(CC(n3cc(Nc4ncc5cc(C#N)cc(N6CCC7(C6)CC7(F)F)c5n4)cn3)C2)C1
• InChI: InChI=1S/C25H26F2N8/c1-33-13-23(14-33)6-19(7-23)35-11-18(10-30-35)31-22-29-9-17-4-16(8-28)5-20(21(17)32-22)34-3-2-24(15-34)12-25(24,26)27/h4-5,9-11,19H,2-3,6-7,12-15H2,1H3,(H,29,31,32)
• InChIKey: FGXMHUWBDQZAPR-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 85.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile?

The IUPAC name of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile (CID 170740180) is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile.

What is the SMILES notation for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile?

The canonical SMILES for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile is CN1CC2(CC(n3cc(Nc4ncc5cc(C#N)cc(N6CCC7(C6)CC7(F)F)c5n4)cn3)C2)C1.

What is the InChIKey of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile?

The InChIKey is FGXMHUWBDQZAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N8/c1-33-13-23(14-33)6-19(7-23)35-11-18(10-30-35)31-22-29-9-17-4-16(8-28)5-20(21(17)32-22)34-3-2-24(15-34)12-25(24,26)27/h4-5,9-11,19H,2-3,6-7,12-15H2,1H3,(H,29,31,32).

What are the key properties of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile?

8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile has a molecular weight of 476.54 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]quinazoline-6-carbonitrile is sourced from PubChem (CID 170740180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).