2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane

C25H32N4O2SSi — CID 22484560

IUPAC2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane
SMILESCC[Si](C#Cc1cn(S(=O)(=O)c2ccccc2)c2ncnc(N3CCCCC3)c12)(CC)CC
InChIInChI=1S/C25H32N4O2SSi/c1-4-33(5-2,6-3)18-15-21-19-29(32(30,31)22-13-9-7-10-14-22)25-23(21)24(26-20-27-25)28-16-11-8-12-17-28/h7,9-10,13-14,19-20H,4-6,8,11-12,16-17H2,1-3H3
InChIKeySDKRBHLJRLGGMA-UHFFFAOYSA-N
MW480.71 g/mol
LogP5.06
Rot. Bonds6

About 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane

2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane (PubChem CID 22484560) has the molecular formula C25H32N4O2SSi and a molecular weight of 480.71 g/mol. Its IUPAC name is 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane.

Molecular Properties

Compound Name2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane
PubChem CID22484560
Molecular FormulaC25H32N4O2SSi
Molecular Weight480.71 g/mol
Exact Mass480.20
IUPAC Name2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane
SMILESCC[Si](C#Cc1cn(S(=O)(=O)c2ccccc2)c2ncnc(N3CCCCC3)c12)(CC)CC
InChIInChI=1S/C25H32N4O2SSi/c1-4-33(5-2,6-3)18-15-21-19-29(32(30,31)22-13-9-7-10-14-22)25-23(21)24(26-20-27-25)28-16-11-8-12-17-28/h7,9-10,13-14,19-20H,4-6,8,11-12,16-17H2,1-3H3
InChIKeySDKRBHLJRLGGMA-UHFFFAOYSA-N
XLogP5.06
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.71
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane 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

1-[7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpiperidin-4-amine
CID 67988152
7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 175304923
[3-[7-(4-methylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
CID 86706954
N-benzyl-1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-amine
CID 67066703
7-benzylsulfonyl-2-chloro-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 141331042
4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-piperidin-1-ylpyridine-2-carbonitrile
CID 66888894
7-(azepan-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
CID 7584315
7-[4-(benzenesulfonyl)piperazin-1-yl]-3-benzyltriazolo[4,5-d]pyrimidine
CID 26844974
[4-amino-7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-5-yl]-benzylcarbamic acid
CID 67085950
tert-butyl 4-[5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate
CID 175580382
methyl 1-[5-bromo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylate
CID 158402016
7-(benzenesulfonyl)-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 139331228

Frequently Asked Questions

What is the IUPAC name of 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane?
The IUPAC name of 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane (CID 22484560) is 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane.
What is the SMILES notation for 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane?
The canonical SMILES for 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane is CC[Si](C#Cc1cn(S(=O)(=O)c2ccccc2)c2ncnc(N3CCCCC3)c12)(CC)CC.
What is the InChIKey of 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane?
The InChIKey is SDKRBHLJRLGGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2SSi/c1-4-33(5-2,6-3)18-15-21-19-29(32(30,31)22-13-9-7-10-14-22)25-23(21)24(26-20-27-25)28-16-11-8-12-17-28/h7,9-10,13-14,19-20H,4-6,8,11-12,16-17H2,1-3H3.
What are the key properties of 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane?
2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane has a molecular weight of 480.71 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(benzenesulfonyl)-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-5-yl]ethynyl-triethylsilane is sourced from PubChem (CID 22484560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).