1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone

C25H29F3N4O2 — CID 154972366

IUPAC1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone
SMILESO=C(CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F)N1CCC2(CCCN2)CC1
InChIInChI=1S/C25H29F3N4O2/c26-17-11-19(23(20(27)12-17)34-15-16-3-1-7-29-24(16)28)18-13-21(18)30-14-22(33)32-9-5-25(6-10-32)4-2-8-31-25/h1,3,7,11-12,18,21,30-31H,2,4-6,8-10,13-15H2
InChIKeyUXIKZPTYVJRLOH-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.27
Rot. Bonds7

About 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone

1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone (PubChem CID 154972366) has the molecular formula C25H29F3N4O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone.

Molecular Properties

Compound Name1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone
PubChem CID154972366
Molecular FormulaC25H29F3N4O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Name1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone
SMILESO=C(CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F)N1CCC2(CCCN2)CC1
InChIInChI=1S/C25H29F3N4O2/c26-17-11-19(23(20(27)12-17)34-15-16-3-1-7-29-24(16)28)18-13-21(18)30-14-22(33)32-9-5-25(6-10-32)4-2-8-31-25/h1,3,7,11-12,18,21,30-31H,2,4-6,8-10,13-15H2
InChIKeyUXIKZPTYVJRLOH-UHFFFAOYSA-N
XLogP3.27
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone 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 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone?
The IUPAC name of 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone (CID 154972366) is 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone.
What is the SMILES notation for 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone?
The canonical SMILES for 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone is O=C(CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F)N1CCC2(CCCN2)CC1.
What is the InChIKey of 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone?
The InChIKey is UXIKZPTYVJRLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O2/c26-17-11-19(23(20(27)12-17)34-15-16-3-1-7-29-24(16)28)18-13-21(18)30-14-22(33)32-9-5-25(6-10-32)4-2-8-31-25/h1,3,7,11-12,18,21,30-31H,2,4-6,8-10,13-15H2.
What are the key properties of 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone?
1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone has a molecular weight of 474.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[3,5-difluoro-2-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]amino]ethanone is sourced from PubChem (CID 154972366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).