8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one

C21H25F3N4OS — CID 130201264

IUPAC8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C21H25F3N4OS/c1-14-11-16(21(22,23)24)25-12-15(14)28-13-19(26-18(28)29)6-8-20(9-7-19,27(2)3)17-5-4-10-30-17/h4-5,10-12H,6-9,13H2,1-3H3,(H,26,29)
InChIKeyBJHPEPKNGPMASH-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.77
Rot. Bonds3

About 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201264) has the molecular formula C21H25F3N4OS and a molecular weight of 438.52 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201264
Molecular FormulaC21H25F3N4OS
Molecular Weight438.52 g/mol
Exact Mass438.17
IUPAC Name8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C21H25F3N4OS/c1-14-11-16(21(22,23)24)25-12-15(14)28-13-19(26-18(28)29)6-8-20(9-7-19,27(2)3)17-5-4-10-30-17/h4-5,10-12H,6-9,13H2,1-3H3,(H,26,29)
InChIKeyBJHPEPKNGPMASH-UHFFFAOYSA-N
XLogP4.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-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

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one (CID 130201264) is 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one is Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is BJHPEPKNGPMASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4OS/c1-14-11-16(21(22,23)24)25-12-15(14)28-13-19(26-18(28)29)6-8-20(9-7-19,27(2)3)17-5-4-10-30-17/h4-5,10-12H,6-9,13H2,1-3H3,(H,26,29).
What are the key properties of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 438.52 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).