2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile

C20H25BrN4O2 — CID 172599132

About 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile

2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172599132) has the molecular formula C20H25BrN4O2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile
• PubChem CID: 172599132
• Molecular Formula: C20H25BrN4O2
• Molecular Weight: 433.35 g/mol
• Exact Mass: 432.12
• IUPAC Name: 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile
• SMILES: N#Cc1cc2c(Br)c(NC3CCCCC3)ncc2o1.OC1CC2(CNC2)C1
• InChI: InChI=1S/C14H14BrN3O.C6H11NO/c15-13-11-6-10(7-16)19-12(11)8-17-14(13)18-9-4-2-1-3-5-9;8-5-1-6(2-5)3-7-4-6/h6,8-9H,1-5H2,(H,17,18);5,7-8H,1-4H2
• InChIKey: XNMYERWYBLHGRZ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 94.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.35
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile?

The IUPAC name of 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile (CID 172599132) is 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile.

What is the SMILES notation for 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile?

The canonical SMILES for 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(Br)c(NC3CCCCC3)ncc2o1.OC1CC2(CNC2)C1.

What is the InChIKey of 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile?

The InChIKey is XNMYERWYBLHGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O.C6H11NO/c15-13-11-6-10(7-16)19-12(11)8-17-14(13)18-9-4-2-1-3-5-9;8-5-1-6(2-5)3-7-4-6/h6,8-9H,1-5H2,(H,17,18);5,7-8H,1-4H2.

What are the key properties of 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile?

2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 433.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172599132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).