potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide

C78H102KN13O6S — CID 163618436

IUPACpotassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide
SMILESC.C.C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCCCC6)CC5)nc4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc(N3CCC4(CCCCC4)CC3)nc2)c2cc[nH]c2c1=O.Cn1cc(-c2ccc(N3CCC4(CCNCC4)CC3)nc2)c2cc[nH]c2c1=O.[K+].[OH-]
InChIInChI=1S/C30H34N4O3S.C23H28N4O.C22H27N5O.3CH4.K.H2O/c1-22-6-9-24(10-7-22)38(36,37)34-17-12-25-26(21-32(2)29(35)28(25)34)23-8-11-27(31-20-23)33-18-15-30(16-19-33)13-4-3-5-14-30;1-26-16-19(18-7-12-24-21(18)22(26)28)17-5-6-20(25-15-17)27-13-10-23(11-14-27)8-3-2-4-9-23;1-26-15-18(17-4-9-24-20(17)21(26)28)16-2-3-19(25-14-16)27-12-7-22(8-13-27)5-10-23-11-6-22;;;;;/h6-12,17,20-21H,3-5,13-16,18-19H2,1-2H3;5-7,12,15-16,24H,2-4,8-11,13-14H2,1H3;2-4,9,14-15,23-24H,5-8,10-13H2,1H3;3*1H4;;1H2/q;;;;;;+1;/p-1
InChIKeyHLZVDZFRSFTVPH-UHFFFAOYSA-M
MW1388.92 g/mol
LogP11.61
Rot. Bonds8

About potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide

potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide (PubChem CID 163618436) has the molecular formula C78H102KN13O6S and a molecular weight of 1388.92 g/mol. Its IUPAC name is potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide.

Molecular Properties

Compound Namepotassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide
PubChem CID163618436
Molecular FormulaC78H102KN13O6S
Molecular Weight1388.92 g/mol
Exact Mass1387.74
IUPAC Namepotassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide
SMILESC.C.C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCCCC6)CC5)nc4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc(N3CCC4(CCCCC4)CC3)nc2)c2cc[nH]c2c1=O.Cn1cc(-c2ccc(N3CCC4(CCNCC4)CC3)nc2)c2cc[nH]c2c1=O.[K+].[OH-]
InChIInChI=1S/C30H34N4O3S.C23H28N4O.C22H27N5O.3CH4.K.H2O/c1-22-6-9-24(10-7-22)38(36,37)34-17-12-25-26(21-32(2)29(35)28(25)34)23-8-11-27(31-20-23)33-18-15-30(16-19-33)13-4-3-5-14-30;1-26-16-19(18-7-12-24-21(18)22(26)28)17-5-6-20(25-15-17)27-13-10-23(11-14-27)8-3-2-4-9-23;1-26-15-18(17-4-9-24-20(17)21(26)28)16-2-3-19(25-14-16)27-12-7-22(8-13-27)5-10-23-11-6-22;;;;;/h6-12,17,20-21H,3-5,13-16,18-19H2,1-2H3;5-7,12,15-16,24H,2-4,8-11,13-14H2,1H3;2-4,9,14-15,23-24H,5-8,10-13H2,1H3;3*1H4;;1H2/q;;;;;;+1;/p-1
InChIKeyHLZVDZFRSFTVPH-UHFFFAOYSA-M
XLogP11.61
TPSA227.07 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001388.92
LogP ≤ 511.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide with MolForge

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Related Compounds

5-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 25215286
6-Methyl-1-(4-methylphenyl)sulfonyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]pyrrolo[2,3-c]pyridin-7-one
CID 118863319
6-methyl-4-[2-(pyridin-2-ylamino)-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 118863363
6-(6-azaspiro[2.5]octan-6-yl)-N-ethyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
CID 153396271
6-(5-azaspiro[2.4]heptan-5-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
CID 153396285
6-(6-azaspiro[2.5]octan-6-yl)-N,N-dimethyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
CID 153396301
6-(6-azaspiro[2.5]octan-6-yl)-N-methyl-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
CID 153396317
6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]pyridine-3-sulfonamide
CID 153396333
6-(6-azaspiro[2.5]octan-6-yl)-5-[7-oxo-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-N-propan-2-ylpyridine-3-sulfonamide
CID 153396336
6-(2-methoxypyrimidin-5-yl)-4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide;4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
CID 157206412
4-imidazo[1,2-a]pyridin-2-ylbenzamide;4-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide;4-imidazo[1,2-a]pyridin-2-yl-N-methylbenzenesulfonamide
CID 160044346
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-[ethyl(methyl)amino]-5-methyl-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 160295125

Frequently Asked Questions

What is the IUPAC name of potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide?
The IUPAC name of potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide (CID 163618436) is potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide.
What is the SMILES notation for potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide?
The canonical SMILES for potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide is C.C.C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCCCC6)CC5)nc4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc(N3CCC4(CCCCC4)CC3)nc2)c2cc[nH]c2c1=O.Cn1cc(-c2ccc(N3CCC4(CCNCC4)CC3)nc2)c2cc[nH]c2c1=O.[K+].[OH-].
What is the InChIKey of potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide?
The InChIKey is HLZVDZFRSFTVPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H34N4O3S.C23H28N4O.C22H27N5O.3CH4.K.H2O/c1-22-6-9-24(10-7-22)38(36,37)34-17-12-25-26(21-32(2)29(35)28(25)34)23-8-11-27(31-20-23)33-18-15-30(16-19-33)13-4-3-5-14-30;1-26-16-19(18-7-12-24-21(18)22(26)28)17-5-6-20(25-15-17)27-13-10-23(11-14-27)8-3-2-4-9-23;1-26-15-18(17-4-9-24-20(17)21(26)28)16-2-3-19(25-14-16)27-12-7-22(8-13-27)5-10-23-11-6-22;;;;;/h6-12,17,20-21H,3-5,13-16,18-19H2,1-2H3;5-7,12,15-16,24H,2-4,8-11,13-14H2,1H3;2-4,9,14-15,23-24H,5-8,10-13H2,1H3;3*1H4;;1H2/q;;;;;;+1;/p-1.
What are the key properties of potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide?
potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide has a molecular weight of 1388.92 g/mol, XLogP of 11.61, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide is sourced from PubChem (CID 163618436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).