potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine

C54H78KN11O2SSi2 — CID 157303581

IUPACpotassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine
SMILESC.C.C#C[Si](C)(C)C.Cc1ccc(N)nc1.Cc1ccc(S(=O)(=O)n2ccc3cc(C)cnc32)cc1.Cc1cnc(N)c(C#C[Si](C)(C)C)c1.Cc1cnc(N)c(C)c1.Cc1cnc2[nH]ccc2c1.N.[H-].[K+]
InChIInChI=1S/C15H14N2O2S.C11H16N2Si.C8H8N2.C7H10N2.C6H8N2.C5H10Si.2CH4.K.H3N.H/c1-11-3-5-14(6-4-11)20(18,19)17-8-7-13-9-12(2)10-16-15(13)17;1-9-7-10(11(12)13-8-9)5-6-14(2,3)4;1-6-4-7-2-3-9-8(7)10-5-6;1-5-3-6(2)7(8)9-4-5;1-5-2-3-6(7)8-4-5;1-5-6(2,3)4;;;;;/h3-10H,1-2H3;7-8H,1-4H3,(H2,12,13);2-5H,1H3,(H,9,10);3-4H,1-2H3,(H2,8,9);2-4H,1H3,(H2,7,8);1H,2-4H3;2*1H4;;1H3;/q;;;;;;;;+1;;-1
InChIKeyNHIKKGRXNACJOM-UHFFFAOYSA-N
MW1040.63 g/mol
LogP9.26
Rot. Bonds2

About potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine

potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine (PubChem CID 157303581) has the molecular formula C54H78KN11O2SSi2 and a molecular weight of 1040.63 g/mol. Its IUPAC name is potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine.

Molecular Properties

Compound Namepotassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine
PubChem CID157303581
Molecular FormulaC54H78KN11O2SSi2
Molecular Weight1040.63 g/mol
Exact Mass1039.52
IUPAC Namepotassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine
SMILESC.C.C#C[Si](C)(C)C.Cc1ccc(N)nc1.Cc1ccc(S(=O)(=O)n2ccc3cc(C)cnc32)cc1.Cc1cnc(N)c(C#C[Si](C)(C)C)c1.Cc1cnc(N)c(C)c1.Cc1cnc2[nH]ccc2c1.N.[H-].[K+]
InChIInChI=1S/C15H14N2O2S.C11H16N2Si.C8H8N2.C7H10N2.C6H8N2.C5H10Si.2CH4.K.H3N.H/c1-11-3-5-14(6-4-11)20(18,19)17-8-7-13-9-12(2)10-16-15(13)17;1-9-7-10(11(12)13-8-9)5-6-14(2,3)4;1-6-4-7-2-3-9-8(7)10-5-6;1-5-3-6(2)7(8)9-4-5;1-5-2-3-6(7)8-4-5;1-5-6(2,3)4;;;;;/h3-10H,1-2H3;7-8H,1-4H3,(H2,12,13);2-5H,1H3,(H,9,10);3-4H,1-2H3,(H2,8,9);2-4H,1H3,(H2,7,8);1H,2-4H3;2*1H4;;1H3;/q;;;;;;;;+1;;-1
InChIKeyNHIKKGRXNACJOM-UHFFFAOYSA-N
XLogP9.26
TPSA232.37 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001040.63
LogP ≤ 59.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 151827977
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide
CID 174659530
1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 69081244
[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methanamine;12-(oxan-4-yl)-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 158799680
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137352450
1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]but-3-en-1-amine
CID 58557193
4-methylbenzenesulfonic acid;7H-pyrrolo[2,3-d]pyrimidine
CID 19087630
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
CID 58382109
12-[2-ethyl-4-(oxan-4-yloxy)cyclopentyl]-5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;12-[(1S,2R,4S)-2-ethyl-4-(oxan-4-yloxy)cyclopentyl]-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 161001485
2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 133060220
4-bromo-5-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137347373

Frequently Asked Questions

What is the IUPAC name of potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The IUPAC name of potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine (CID 157303581) is potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine.
What is the SMILES notation for potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The canonical SMILES for potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine is C.C.C#C[Si](C)(C)C.Cc1ccc(N)nc1.Cc1ccc(S(=O)(=O)n2ccc3cc(C)cnc32)cc1.Cc1cnc(N)c(C#C[Si](C)(C)C)c1.Cc1cnc(N)c(C)c1.Cc1cnc2[nH]ccc2c1.N.[H-].[K+].
What is the InChIKey of potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The InChIKey is NHIKKGRXNACJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S.C11H16N2Si.C8H8N2.C7H10N2.C6H8N2.C5H10Si.2CH4.K.H3N.H/c1-11-3-5-14(6-4-11)20(18,19)17-8-7-13-9-12(2)10-16-15(13)17;1-9-7-10(11(12)13-8-9)5-6-14(2,3)4;1-6-4-7-2-3-9-8(7)10-5-6;1-5-3-6(2)7(8)9-4-5;1-5-2-3-6(7)8-4-5;1-5-6(2,3)4;;;;;/h3-10H,1-2H3;7-8H,1-4H3,(H2,12,13);2-5H,1H3,(H,9,10);3-4H,1-2H3,(H2,8,9);2-4H,1H3,(H2,7,8);1H,2-4H3;2*1H4;;1H3;/q;;;;;;;;+1;;-1.
What are the key properties of potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine?
potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine has a molecular weight of 1040.63 g/mol, XLogP of 9.26, 2 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azane;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;hydride;methane;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine is sourced from PubChem (CID 157303581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).