3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate

C114H144F3N21O9 — CID 158065865

IUPAC3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)NCC3)C(=O)N2.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1cccnc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C24H30N4O3.C24H30N4O.C23H30N4O2.C22H28N4O2.C21H26F3N5O/c1-17-14-19(21(29)31-4)25-15-20(17)28-16-23(26-22(28)30)10-12-24(13-11-23,27(2)3)18-8-6-5-7-9-18;1-27(2)24(19-6-4-3-5-7-19)13-11-23(12-14-24)17-28(22(29)26-23)20-9-8-18-10-15-25-21(18)16-20;1-17-14-20(29-4)24-15-19(17)27-16-22(25-21(27)28)10-12-23(13-11-22,26(2)3)18-8-6-5-7-9-18;1-25(2)22(17-8-5-4-6-9-17)13-11-21(12-14-22)16-26(20(27)24-21)19-18(28-3)10-7-15-23-19;1-27(2)20(15-7-5-4-6-8-15)11-9-19(10-12-20)14-29(18(30)25-19)17-13-16(21(22,23)24)26-28(17)3/h5-9,14-15H,10-13,16H2,1-4H3,(H,26,30);3-9,16,25H,10-15,17H2,1-2H3,(H,26,29);5-9,14-15H,10-13,16H2,1-4H3,(H,25,28);4-10,15H,11-14,16H2,1-3H3,(H,24,27);4-8,13H,9-12,14H2,1-3H3,(H,25,30)
InChIKeyFLFFXAJRFJPVFH-UHFFFAOYSA-N
MW2009.54 g/mol
LogP18.26
Rot. Bonds18

About 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate

3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate (PubChem CID 158065865) has the molecular formula C114H144F3N21O9 and a molecular weight of 2009.54 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
PubChem CID158065865
Molecular FormulaC114H144F3N21O9
Molecular Weight2009.54 g/mol
Exact Mass2008.14
IUPAC Name3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)NCC3)C(=O)N2.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1cccnc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C24H30N4O3.C24H30N4O.C23H30N4O2.C22H28N4O2.C21H26F3N5O/c1-17-14-19(21(29)31-4)25-15-20(17)28-16-23(26-22(28)30)10-12-24(13-11-23,27(2)3)18-8-6-5-7-9-18;1-27(2)24(19-6-4-3-5-7-19)13-11-23(12-14-24)17-28(22(29)26-23)20-9-8-18-10-15-25-21(18)16-20;1-17-14-20(29-4)24-15-19(17)27-16-22(25-21(27)28)10-12-23(13-11-22,26(2)3)18-8-6-5-7-9-18;1-25(2)22(17-8-5-4-6-9-17)13-11-21(12-14-22)16-26(20(27)24-21)19-18(28-3)10-7-15-23-19;1-27(2)20(15-7-5-4-6-8-15)11-9-19(10-12-20)14-29(18(30)25-19)17-13-16(21(22,23)24)26-28(17)3/h5-9,14-15H,10-13,16H2,1-4H3,(H,26,30);3-9,16,25H,10-15,17H2,1-2H3,(H,26,29);5-9,14-15H,10-13,16H2,1-4H3,(H,25,28);4-10,15H,11-14,16H2,1-3H3,(H,24,27);4-8,13H,9-12,14H2,1-3H3,(H,25,30)
InChIKeyFLFFXAJRFJPVFH-UHFFFAOYSA-N
XLogP18.26
TPSA291.18 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002009.54
LogP ≤ 518.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The IUPAC name of 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate (CID 158065865) is 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)NCC3)C(=O)N2.COC(=O)c1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1cc(C)c(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1cccnc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
The InChIKey is FLFFXAJRFJPVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3.C24H30N4O.C23H30N4O2.C22H28N4O2.C21H26F3N5O/c1-17-14-19(21(29)31-4)25-15-20(17)28-16-23(26-22(28)30)10-12-24(13-11-23,27(2)3)18-8-6-5-7-9-18;1-27(2)24(19-6-4-3-5-7-19)13-11-23(12-14-24)17-28(22(29)26-23)20-9-8-18-10-15-25-21(18)16-20;1-17-14-20(29-4)24-15-19(17)27-16-22(25-21(27)28)10-12-23(13-11-22,26(2)3)18-8-6-5-7-9-18;1-25(2)22(17-8-5-4-6-9-17)13-11-21(12-14-22)16-26(20(27)24-21)19-18(28-3)10-7-15-23-19;1-27(2)20(15-7-5-4-6-8-15)11-9-19(10-12-20)14-29(18(30)25-19)17-13-16(21(22,23)24)26-28(17)3/h5-9,14-15H,10-13,16H2,1-4H3,(H,26,30);3-9,16,25H,10-15,17H2,1-2H3,(H,26,29);5-9,14-15H,10-13,16H2,1-4H3,(H,25,28);4-10,15H,11-14,16H2,1-3H3,(H,24,27);4-8,13H,9-12,14H2,1-3H3,(H,25,30).
What are the key properties of 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate?
3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate has a molecular weight of 2009.54 g/mol, XLogP of 18.26, 18 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-6-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 158065865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).