1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride

C19H34Cl2N6O2Si — CID 67385466

IUPAC1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride
SMILESC[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCC3CCCCN3)cnc21.Cl.Cl
InChIInChI=1S/C19H32N6O2Si.2ClH/c1-28(2,3)11-10-27-14-25-9-7-16-18(25)21-13-17(23-16)24-19(26)22-12-15-6-4-5-8-20-15;;/h7,9,13,15,20H,4-6,8,10-12,14H2,1-3H3,(H2,22,23,24,26);2*1H
InChIKeyHWKYRXHJRJVIJH-UHFFFAOYSA-N
MW477.51 g/mol
LogP3.85
Rot. Bonds8

About 1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride

1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride (PubChem CID 67385466) has the molecular formula C19H34Cl2N6O2Si and a molecular weight of 477.51 g/mol. Its IUPAC name is 1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride.

Molecular Properties

Compound Name1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride
PubChem CID67385466
Molecular FormulaC19H34Cl2N6O2Si
Molecular Weight477.51 g/mol
Exact Mass476.19
IUPAC Name1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride
SMILESC[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCC3CCCCN3)cnc21.Cl.Cl
InChIInChI=1S/C19H32N6O2Si.2ClH/c1-28(2,3)11-10-27-14-25-9-7-16-18(25)21-13-17(23-16)24-19(26)22-12-15-6-4-5-8-20-15;;/h7,9,13,15,20H,4-6,8,10-12,14H2,1-3H3,(H2,22,23,24,26);2*1H
InChIKeyHWKYRXHJRJVIJH-UHFFFAOYSA-N
XLogP3.85
TPSA93.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-3-yl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385496
1-[(1-acetylpiperidin-4-yl)methyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385825
1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385980
tert-butyl 3-[[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamoylamino]methyl]piperidine-1-carboxylate
CID 67385024
1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67431269
tert-butyl 3-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamoylamino]azepane-1-carboxylate
CID 67385442
1-(1-propan-2-ylsulfonylpiperidin-3-yl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385861
1-[(1S,3S)-3-(1,3-dioxoisoindol-2-yl)cyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 86642313
tert-butyl 4-methyl-5-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamoylamino]azepane-1-carboxylate
CID 67386251
1-cyclohexyl-3-methylcyclohex-4-ene-1,3-dicarboxylic acid;[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 175272598
3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxyaniline
CID 141450408
N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122976

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride?
The IUPAC name of 1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride (CID 67385466) is 1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride.
What is the SMILES notation for 1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride?
The canonical SMILES for 1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride is C[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCC3CCCCN3)cnc21.Cl.Cl.
What is the InChIKey of 1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride?
The InChIKey is HWKYRXHJRJVIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2Si.2ClH/c1-28(2,3)11-10-27-14-25-9-7-16-18(25)21-13-17(23-16)24-19(26)22-12-15-6-4-5-8-20-15;;/h7,9,13,15,20H,4-6,8,10-12,14H2,1-3H3,(H2,22,23,24,26);2*1H.
What are the key properties of 1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride?
1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride has a molecular weight of 477.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-2-ylmethyl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea;dihydrochloride is sourced from PubChem (CID 67385466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).