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-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid

C55H63F6N11O6 — CID 159183678

IUPAC8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CNC4=O)nc1)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C28H30N6O2.C25H32F3N5O2.C2HF3O2/c1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-15-29-24(30-16-20)21-9-6-10-22-23(21)17-31-25(22)35;1-31(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;3-2(4,5)1(6)7/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,31,35)(H,32,36);4-8,15-16,34H,9-14,17H2,1-3H3,(H,30,35);(H,6,7)
InChIKeyMHRVEBWZZWFJJW-UHFFFAOYSA-N
MW1088.17 g/mol
LogP8.15
Rot. Bonds10

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-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid

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-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid (PubChem CID 159183678) has the molecular formula C55H63F6N11O6 and a molecular weight of 1088.17 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;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid.

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;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
PubChem CID159183678
Molecular FormulaC55H63F6N11O6
Molecular Weight1088.17 g/mol
Exact Mass1087.49
IUPAC Name8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CNC4=O)nc1)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C28H30N6O2.C25H32F3N5O2.C2HF3O2/c1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-15-29-24(30-16-20)21-9-6-10-22-23(21)17-31-25(22)35;1-31(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;3-2(4,5)1(6)7/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,31,35)(H,32,36);4-8,15-16,34H,9-14,17H2,1-3H3,(H,30,35);(H,6,7)
InChIKeyMHRVEBWZZWFJJW-UHFFFAOYSA-N
XLogP8.15
TPSA199.70 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001088.17
LogP ≤ 58.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 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-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-fluoro-N-(6-(2-hydroxyacetyl)-2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)-5-(pyrimidin-2-yl)-4-(trifluoromethyl)benzamide
CID 118393429
US10807988, Example SC_3344
CID 130200967
US10807988, Example SC_3338
CID 130200987
N-[3-[[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 87392184
2-[(4-ethylpiperazin-1-yl)methyl]-N-[3-[[1-[2-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]imidazol-2-yl]methyl]phenyl]-4-(trifluoromethyl)benzamide
CID 121476005
4-[5-[8-(N,2-dimethylanilino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 130229167
2-Amino-5-[4-[4-[2-amino-1-[[3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)-4-(trifluoromethyl)phenyl]methyl]-5-oxo-4-phenylimidazol-4-yl]phenyl]-3-methylbutyl]-3-[[3-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-4-(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)imidazol-4-one
CID 137490628
8-[Cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide
CID 138522666
[4-[6-[2-Methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[3,2-c]pyridin-1-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl 2,2-dimethylpropanoate
CID 156366934
5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 157084781
Methyl 2-[5-[(4-aminophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate;methyl 2-[5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate;2-[5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
CID 157089752
5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 157267254

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;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid?
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;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid (CID 159183678) is 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-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid.
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;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid?
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;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CNC4=O)nc1)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1C(F)(F)F.O=C(O)C(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;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is MHRVEBWZZWFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2.C25H32F3N5O2.C2HF3O2/c1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-15-29-24(30-16-20)21-9-6-10-22-23(21)17-31-25(22)35;1-31(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;3-2(4,5)1(6)7/h3-10,15-16H,11-14,17-18H2,1-2H3,(H,31,35)(H,32,36);4-8,15-16,34H,9-14,17H2,1-3H3,(H,30,35);(H,6,7).
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-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid?
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-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 1088.17 g/mol, XLogP of 8.15, 10 rotatable bonds, 5 hydrogen bond donors, and 11 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;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159183678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).