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

C23H24F6N4O — CID 130201148

IUPAC3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C(F)(F)F)C(=O)N2
InChIInChI=1S/C23H24F6N4O/c1-32(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-33(19(34)31-20)17-13-30-18(23(27,28)29)12-16(17)22(24,25)26/h3-7,12-13H,8-11,14H2,1-2H3,(H,31,34)
InChIKeyDYVZRYUYWRKGOR-UHFFFAOYSA-N
MW486.46 g/mol
LogP5.42
Rot. Bonds3

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

3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201148) has the molecular formula C23H24F6N4O and a molecular weight of 486.46 g/mol. Its IUPAC name is 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201148
Molecular FormulaC23H24F6N4O
Molecular Weight486.46 g/mol
Exact Mass486.19
IUPAC Name3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C(F)(F)F)C(=O)N2
InChIInChI=1S/C23H24F6N4O/c1-32(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-33(19(34)31-20)17-13-30-18(23(27,28)29)12-16(17)22(24,25)26/h3-7,12-13H,8-11,14H2,1-2H3,(H,31,34)
InChIKeyDYVZRYUYWRKGOR-UHFFFAOYSA-N
XLogP5.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201148) is 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C(F)(F)F)C(=O)N2.
What is the InChIKey of 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is DYVZRYUYWRKGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N4O/c1-32(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-33(19(34)31-20)17-13-30-18(23(27,28)29)12-16(17)22(24,25)26/h3-7,12-13H,8-11,14H2,1-2H3,(H,31,34).
What are the key properties of 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 486.46 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).