3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide

C25H32F3N3O2 — CID 167306067

IUPAC3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide
SMILESCNC(C(=O)Nc1ccc(C(C)C(=O)N2CC3(C2)CC(F)(F)C3)cc1F)C(C1CC1)C1CC1
InChIInChI=1S/C25H32F3N3O2/c1-14(23(33)31-12-24(13-31)10-25(27,28)11-24)17-7-8-19(18(26)9-17)30-22(32)21(29-2)20(15-3-4-15)16-5-6-16/h7-9,14-16,20-21,29H,3-6,10-13H2,1-2H3,(H,30,32)
InChIKeyQASFAVSXTIQEBM-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.15
Rot. Bonds8

About 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide

3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide (PubChem CID 167306067) has the molecular formula C25H32F3N3O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide
PubChem CID167306067
Molecular FormulaC25H32F3N3O2
Molecular Weight463.54 g/mol
Exact Mass463.24
IUPAC Name3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide
SMILESCNC(C(=O)Nc1ccc(C(C)C(=O)N2CC3(C2)CC(F)(F)C3)cc1F)C(C1CC1)C1CC1
InChIInChI=1S/C25H32F3N3O2/c1-14(23(33)31-12-24(13-31)10-25(27,28)11-24)17-7-8-19(18(26)9-17)30-22(32)21(29-2)20(15-3-4-15)16-5-6-16/h7-9,14-16,20-21,29H,3-6,10-13H2,1-2H3,(H,30,32)
InChIKeyQASFAVSXTIQEBM-UHFFFAOYSA-N
XLogP4.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide 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 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide?
The IUPAC name of 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide (CID 167306067) is 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide?
The canonical SMILES for 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide is CNC(C(=O)Nc1ccc(C(C)C(=O)N2CC3(C2)CC(F)(F)C3)cc1F)C(C1CC1)C1CC1.
What is the InChIKey of 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide?
The InChIKey is QASFAVSXTIQEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O2/c1-14(23(33)31-12-24(13-31)10-25(27,28)11-24)17-7-8-19(18(26)9-17)30-22(32)21(29-2)20(15-3-4-15)16-5-6-16/h7-9,14-16,20-21,29H,3-6,10-13H2,1-2H3,(H,30,32).
What are the key properties of 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide?
3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide has a molecular weight of 463.54 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-[4-[1-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-1-oxopropan-2-yl]-2-fluorophenyl]-2-(methylamino)propanamide is sourced from PubChem (CID 167306067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).