2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H30N6O2Si — CID 67008846

IUPAC2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)c1ccn[nH]1
InChIInChI=1S/C21H30N6O2Si/c1-14(17-7-8-23-26-17)24-21(28)16-12-27(13-29-9-10-30(2,3)4)20-19(16)25-18(11-22-20)15-5-6-15/h7-8,11-12,14-15H,5-6,9-10,13H2,1-4H3,(H,23,26)(H,24,28)/t14-/m0/s1
InChIKeyJHBMRCDXJIHJPJ-AWEZNQCLSA-N
MW426.60 g/mol
LogP3.84
Rot. Bonds9

About 2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67008846) has the molecular formula C21H30N6O2Si and a molecular weight of 426.60 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67008846
Molecular FormulaC21H30N6O2Si
Molecular Weight426.60 g/mol
Exact Mass426.22
IUPAC Name2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)c1ccn[nH]1
InChIInChI=1S/C21H30N6O2Si/c1-14(17-7-8-23-26-17)24-21(28)16-12-27(13-29-9-10-30(2,3)4)20-19(16)25-18(11-22-20)15-5-6-15/h7-8,11-12,14-15H,5-6,9-10,13H2,1-4H3,(H,23,26)(H,24,28)/t14-/m0/s1
InChIKeyJHBMRCDXJIHJPJ-AWEZNQCLSA-N
XLogP3.84
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 53.84
H-Bond Donors ≤ 52
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

2-cyclopropyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 165366553
2-cyclopropyl-N-[(2S)-3,3-dimethyl-4-methylsulfonylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67008786
2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522279
2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 86677968
2-bromo-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 89424916
2-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280605
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1R)-1-cyclopropylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71602262
2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280442
2-bromo-N-(4-methylpiperidin-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71574168
2-bromo-N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 86657869
6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 141450366
2-[5-(tert-butyldimethyl-silanyloxymethyl)-1-methyl-1H-indazol-3-yl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 71280215

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67008846) is 2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(C3CC3)nc12)c1ccn[nH]1.
What is the InChIKey of 2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JHBMRCDXJIHJPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H30N6O2Si/c1-14(17-7-8-23-26-17)24-21(28)16-12-27(13-29-9-10-30(2,3)4)20-19(16)25-18(11-22-20)15-5-6-15/h7-8,11-12,14-15H,5-6,9-10,13H2,1-4H3,(H,23,26)(H,24,28)/t14-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 426.60 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67008846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).