2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C23H26F3N3O2 — CID 118562402

IUPAC2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ncccc2C(F)(F)F)C1=O
InChIInChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-19(23(24,25)26)8-5-12-27-20)16-22(31-17)10-14-28(15-11-22)13-9-18-6-3-2-4-7-18/h2-8,12,17H,9-11,13-16H2,1H3
InChIKeyQVSZFVNYJYNUGG-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.93
Rot. Bonds4

About 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118562402) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118562402
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ncccc2C(F)(F)F)C1=O
InChIInChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-19(23(24,25)26)8-5-12-27-20)16-22(31-17)10-14-28(15-11-22)13-9-18-6-3-2-4-7-18/h2-8,12,17H,9-11,13-16H2,1H3
InChIKeyQVSZFVNYJYNUGG-UHFFFAOYSA-N
XLogP3.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one 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 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118562402) is 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1OC2(CCN(CCc3ccccc3)CC2)CN(c2ncccc2C(F)(F)F)C1=O.
What is the InChIKey of 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QVSZFVNYJYNUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-17-21(30)29(20-19(23(24,25)26)8-5-12-27-20)16-22(31-17)10-14-28(15-11-22)13-9-18-6-3-2-4-7-18/h2-8,12,17H,9-11,13-16H2,1H3.
What are the key properties of 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 433.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118562402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).