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

C24H26F6N4O — CID 130201050

IUPAC8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(C(F)(F)F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C24H26F6N4O/c1-15-11-19(24(28,29)30)31-13-18(15)34-14-21(32-20(34)35)7-9-22(10-8-21,33(2)3)16-5-4-6-17(12-16)23(25,26)27/h4-6,11-13H,7-10,14H2,1-3H3,(H,32,35)
InChIKeyMKWWEMAIMQADIZ-UHFFFAOYSA-N
MW500.49 g/mol
LogP5.73
Rot. Bonds3

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

8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201050) has the molecular formula C24H26F6N4O and a molecular weight of 500.49 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201050
Molecular FormulaC24H26F6N4O
Molecular Weight500.49 g/mol
Exact Mass500.20
IUPAC Name8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(C(F)(F)F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C24H26F6N4O/c1-15-11-19(24(28,29)30)31-13-18(15)34-14-21(32-20(34)35)7-9-22(10-8-21,33(2)3)16-5-4-6-17(12-16)23(25,26)27/h4-6,11-13H,7-10,14H2,1-3H3,(H,32,35)
InChIKeyMKWWEMAIMQADIZ-UHFFFAOYSA-N
XLogP5.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one (CID 130201050) is 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one is Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(C(F)(F)F)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is MKWWEMAIMQADIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6N4O/c1-15-11-19(24(28,29)30)31-13-18(15)34-14-21(32-20(34)35)7-9-22(10-8-21,33(2)3)16-5-4-6-17(12-16)23(25,26)27/h4-6,11-13H,7-10,14H2,1-3H3,(H,32,35).
What are the key properties of 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 500.49 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).