8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C25H32F3N5O2 — CID 130201150

IUPAC8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1C(F)(F)F
InChIInChI=1S/C25H32F3N5O2/c1-31(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-33(22(35)30-23)19-15-20(25(26,27)28)21(29-16-19)32(3)13-14-34/h4-8,15-16,34H,9-14,17H2,1-3H3,(H,30,35)
InChIKeyNPZHCAAUTFRUFT-UHFFFAOYSA-N
MW491.56 g/mol
LogP3.83
Rot. Bonds6

About 8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201150) has the molecular formula C25H32F3N5O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201150
Molecular FormulaC25H32F3N5O2
Molecular Weight491.56 g/mol
Exact Mass491.25
IUPAC Name8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1C(F)(F)F
InChIInChI=1S/C25H32F3N5O2/c1-31(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-33(22(35)30-23)19-15-20(25(26,27)28)21(29-16-19)32(3)13-14-34/h4-8,15-16,34H,9-14,17H2,1-3H3,(H,30,35)
InChIKeyNPZHCAAUTFRUFT-UHFFFAOYSA-N
XLogP3.83
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201150) is 8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1C(F)(F)F.
What is the InChIKey of 8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is NPZHCAAUTFRUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O2/c1-31(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-33(22(35)30-23)19-15-20(25(26,27)28)21(29-16-19)32(3)13-14-34/h4-8,15-16,34H,9-14,17H2,1-3H3,(H,30,35).
What are the key properties of 8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 491.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).