8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C25H30F3N5O2 — CID 140797726

IUPAC8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCC(NC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2)C1CCOC1
InChIInChI=1S/C25H30F3N5O2/c1-17(18-7-12-35-15-18)31-24(19-5-3-2-4-6-19)10-8-23(9-11-24)16-33(22(34)32-23)20-13-29-21(30-14-20)25(26,27)28/h2-6,13-14,17-18,31H,7-12,15-16H2,1H3,(H,32,34)
InChIKeyQJAKAOJEIUHPNA-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.25
Rot. Bonds5

About 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 140797726) has the molecular formula C25H30F3N5O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID140797726
Molecular FormulaC25H30F3N5O2
Molecular Weight489.54 g/mol
Exact Mass489.24
IUPAC Name8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCC(NC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2)C1CCOC1
InChIInChI=1S/C25H30F3N5O2/c1-17(18-7-12-35-15-18)31-24(19-5-3-2-4-6-19)10-8-23(9-11-24)16-33(22(34)32-23)20-13-29-21(30-14-20)25(26,27)28/h2-6,13-14,17-18,31H,7-12,15-16H2,1H3,(H,32,34)
InChIKeyQJAKAOJEIUHPNA-UHFFFAOYSA-N
XLogP4.25
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-4-[[8-oxo-2-(2-propan-2-ylphenyl)-7H-purin-9-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 129140027
US10807988, Example SC_3401
CID 130201129
US10807988, Example SC_3022
CID 130201136
US10807988, Example SC_3038
CID 130201507
US9546173, cmpd 26
CID 73506036
US9546173, cmpd 121
CID 118404592
US10807988, Example SC_3299
CID 130200914
US10807988, Example SC_3044
CID 130200961
US10807988, Example SC_3141
CID 130200963
US10807988, Example SC_3271
CID 130200973
US10807988, Example SC_3042
CID 130201110
US10807988, Example SC_3245
CID 130201137

Frequently Asked Questions

What is the IUPAC name of 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 140797726) is 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is CC(NC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2)C1CCOC1.
What is the InChIKey of 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is QJAKAOJEIUHPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O2/c1-17(18-7-12-35-15-18)31-24(19-5-3-2-4-6-19)10-8-23(9-11-24)16-33(22(34)32-23)20-13-29-21(30-14-20)25(26,27)28/h2-6,13-14,17-18,31H,7-12,15-16H2,1H3,(H,32,34).
What are the key properties of 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 489.54 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(oxolan-3-yl)ethylamino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 140797726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).