8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

C25H29F5N4O2 — CID 172531825

IUPAC8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(C)(O)C(F)(F)F)cnc1N1CC2(CCC(c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C25H29F5N4O2/c1-15-9-17(22(2,36)25(28,29)30)13-31-20(15)34-14-23(32-21(34)35)5-7-24(8-6-23,33(3)4)16-10-18(26)12-19(27)11-16/h9-13,36H,5-8,14H2,1-4H3,(H,32,35)
InChIKeyJVAFEFJLMBSPTM-UHFFFAOYSA-N
MW512.52 g/mol
LogP4.74
Rot. Bonds4

About 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one

8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 172531825) has the molecular formula C25H29F5N4O2 and a molecular weight of 512.52 g/mol. Its IUPAC name is 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID172531825
Molecular FormulaC25H29F5N4O2
Molecular Weight512.52 g/mol
Exact Mass512.22
IUPAC Name8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(C)(O)C(F)(F)F)cnc1N1CC2(CCC(c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C25H29F5N4O2/c1-15-9-17(22(2,36)25(28,29)30)13-31-20(15)34-14-23(32-21(34)35)5-7-24(8-6-23,33(3)4)16-10-18(26)12-19(27)11-16/h9-13,36H,5-8,14H2,1-4H3,(H,32,35)
InChIKeyJVAFEFJLMBSPTM-UHFFFAOYSA-N
XLogP4.74
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one (CID 172531825) is 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is Cc1cc(C(C)(O)C(F)(F)F)cnc1N1CC2(CCC(c3cc(F)cc(F)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is JVAFEFJLMBSPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F5N4O2/c1-15-9-17(22(2,36)25(28,29)30)13-31-20(15)34-14-23(32-21(34)35)5-7-24(8-6-23,33(3)4)16-10-18(26)12-19(27)11-16/h9-13,36H,5-8,14H2,1-4H3,(H,32,35).
What are the key properties of 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one?
8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 512.52 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-difluorophenyl)-8-(dimethylamino)-3-[3-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 172531825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).