7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane

C25H44FN3 — CID 171748275

IUPAC7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CC3(CCC(F)(CN4C5CC4CN(C(C)C)C5)CC3)C2)CC1
InChIInChI=1S/C25H44FN3/c1-19(2)12-23(5-6-23)15-27-16-24(17-27)7-9-25(26,10-8-24)18-29-21-11-22(29)14-28(13-21)20(3)4/h19-22H,5-18H2,1-4H3
InChIKeyCETWLYBRGVNOTQ-UHFFFAOYSA-N
MW405.65 g/mol
LogP4.56
Rot. Bonds7

About 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane

7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane (PubChem CID 171748275) has the molecular formula C25H44FN3 and a molecular weight of 405.65 g/mol. Its IUPAC name is 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane
PubChem CID171748275
Molecular FormulaC25H44FN3
Molecular Weight405.65 g/mol
Exact Mass405.35
IUPAC Name7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CC3(CCC(F)(CN4C5CC4CN(C(C)C)C5)CC3)C2)CC1
InChIInChI=1S/C25H44FN3/c1-19(2)12-23(5-6-23)15-27-16-24(17-27)7-9-25(26,10-8-24)18-29-21-11-22(29)14-28(13-21)20(3)4/h19-22H,5-18H2,1-4H3
InChIKeyCETWLYBRGVNOTQ-UHFFFAOYSA-N
XLogP4.56
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.65
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane?
The IUPAC name of 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane (CID 171748275) is 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane is CC(C)CC1(CN2CC3(CCC(F)(CN4C5CC4CN(C(C)C)C5)CC3)C2)CC1.
What is the InChIKey of 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane?
The InChIKey is CETWLYBRGVNOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44FN3/c1-19(2)12-23(5-6-23)15-27-16-24(17-27)7-9-25(26,10-8-24)18-29-21-11-22(29)14-28(13-21)20(3)4/h19-22H,5-18H2,1-4H3.
What are the key properties of 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane?
7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane has a molecular weight of 405.65 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane is sourced from PubChem (CID 171748275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).