2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one

C86H97BrN12O7S2 — CID 157152932

IUPAC2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCN(c5cccc(C)n5)CC4)C3=O)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCNCC4)C3=O)c3ccccc32)cc1.Cc1cccc(Br)n1.Cc1cccc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1
InChIInChI=1S/C31H34N4O3S.C25H29N3O3S.C24H28N4O.C6H6BrN/c1-23-11-13-26(14-12-23)39(37,38)35-22-25(27-8-3-4-9-28(27)35)21-34-18-6-15-31(30(34)36)16-19-33(20-17-31)29-10-5-7-24(2)32-29;1-19-7-9-21(10-8-19)32(30,31)28-18-20(22-5-2-3-6-23(22)28)17-27-16-4-11-25(24(27)29)12-14-26-15-13-25;1-18-6-4-9-22(26-18)27-14-11-24(12-15-27)10-5-13-28(23(24)29)17-19-16-25-21-8-3-2-7-20(19)21;1-5-3-2-4-6(7)8-5/h3-5,7-14,22H,6,15-21H2,1-2H3;2-3,5-10,18,26H,4,11-17H2,1H3;2-4,6-9,16,25H,5,10-15,17H2,1H3;2-4H,1H3
InChIKeyALLSMMPOOSFPIF-UHFFFAOYSA-N
MW1554.84 g/mol
LogP15.41
Rot. Bonds12

About 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one

2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 157152932) has the molecular formula C86H97BrN12O7S2 and a molecular weight of 1554.84 g/mol. Its IUPAC name is 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID157152932
Molecular FormulaC86H97BrN12O7S2
Molecular Weight1554.84 g/mol
Exact Mass1552.62
IUPAC Name2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCN(c5cccc(C)n5)CC4)C3=O)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCNCC4)C3=O)c3ccccc32)cc1.Cc1cccc(Br)n1.Cc1cccc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1
InChIInChI=1S/C31H34N4O3S.C25H29N3O3S.C24H28N4O.C6H6BrN/c1-23-11-13-26(14-12-23)39(37,38)35-22-25(27-8-3-4-9-28(27)35)21-34-18-6-15-31(30(34)36)16-19-33(20-17-31)29-10-5-7-24(2)32-29;1-19-7-9-21(10-8-19)32(30,31)28-18-20(22-5-2-3-6-23(22)28)17-27-16-4-11-25(24(27)29)12-14-26-15-13-25;1-18-6-4-9-22(26-18)27-14-11-24(12-15-27)10-5-13-28(23(24)29)17-19-16-25-21-8-3-2-7-20(19)21;1-5-3-2-4-6(7)8-5/h3-5,7-14,22H,6,15-21H2,1-2H3;2-3,5-10,18,26H,4,11-17H2,1H3;2-4,6-9,16,25H,5,10-15,17H2,1H3;2-4H,1H3
InChIKeyALLSMMPOOSFPIF-UHFFFAOYSA-N
XLogP15.41
TPSA212.04 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.84
LogP ≤ 515.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one with MolForge

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Related Compounds

dicesium;9-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-bromo-1,3-benzothiazole;hydride;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;oxido formate
CID 157473272
9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one;9-(4,6-dimethylpyrimidin-2-yl)-1-[[1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 157475221
3-chlorobenzonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 157637547
tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 157925457
3-(bromomethyl)-1-(4-methylphenyl)sulfonylindole;tert-butyl 9-(4,6-dimethylpyrimidin-2-yl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate;tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate;2-chloro-4,6-dimethylpyrimidine;9-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 158179411
tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 159986277
(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 160068109
3-(bromomethyl)-1-(4-methylphenyl)sulfonylindole;3-bromoquinoline;tert-butyl 2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;tert-butyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate;2-(1H-indol-3-ylmethyl)-9-quinolin-3-yl-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-quinolin-3-yl-2,9-diazaspiro[5.5]undecan-1-one;2-[(1-tritioindol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 161048830
2-chloropyridine-4-carbonitrile;2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[2-(1H-indol-3-ylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 161278043
3-(chloromethyl)-1-(4-methylphenyl)sulfonylindole;2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one;9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 161442972
2-chloro-4,6-dimethylpyrimidine;9-(4,6-dimethylpyrimidin-2-yl)-1-(1H-indol-4-ylmethyl)-1,9-diazaspiro[5.5]undecan-2-one;9-(4,6-dimethylpyrimidin-2-yl)-1-[[1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-1,9-diazaspiro[5.5]undecan-2-one;1-[[1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 161693452
3-(chloromethyl)-1-(4-methylphenyl)sulfonylindole;2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one;9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 161875343

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 157152932) is 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one is Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCN(c5cccc(C)n5)CC4)C3=O)c3ccccc32)cc1.Cc1ccc(S(=O)(=O)n2cc(CN3CCCC4(CCNCC4)C3=O)c3ccccc32)cc1.Cc1cccc(Br)n1.Cc1cccc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1.
What is the InChIKey of 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is ALLSMMPOOSFPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O3S.C25H29N3O3S.C24H28N4O.C6H6BrN/c1-23-11-13-26(14-12-23)39(37,38)35-22-25(27-8-3-4-9-28(27)35)21-34-18-6-15-31(30(34)36)16-19-33(20-17-31)29-10-5-7-24(2)32-29;1-19-7-9-21(10-8-19)32(30,31)28-18-20(22-5-2-3-6-23(22)28)17-27-16-4-11-25(24(27)29)12-14-26-15-13-25;1-18-6-4-9-22(26-18)27-14-11-24(12-15-27)10-5-13-28(23(24)29)17-19-16-25-21-8-3-2-7-20(19)21;1-5-3-2-4-6(7)8-5/h3-5,7-14,22H,6,15-21H2,1-2H3;2-3,5-10,18,26H,4,11-17H2,1H3;2-4,6-9,16,25H,5,10-15,17H2,1H3;2-4H,1H3.
What are the key properties of 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one?
2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 1554.84 g/mol, XLogP of 15.41, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyridine;2-(1H-indol-3-ylmethyl)-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-1-one;2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-9-(6-methyl-2-pyridinyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 157152932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).