3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H32N6O2Si — CID 144576928

IUPAC3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)c1nc2c(nc1Nc1cccnc1)c(C(N)=O)cn2COCC[Si](C)(C)C
InChIInChI=1S/C22H32N6O2Si/c1-22(2,3)18-20(25-15-8-7-9-24-12-15)26-17-16(19(23)29)13-28(21(17)27-18)14-30-10-11-31(4,5)6/h7-9,12-13H,10-11,14H2,1-6H3,(H2,23,29)(H,25,26)
InChIKeyJBGVVTCZJWHPNC-UHFFFAOYSA-N
MW440.62 g/mol
LogP4.28
Rot. Bonds8

About 3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 144576928) has the molecular formula C22H32N6O2Si and a molecular weight of 440.62 g/mol. Its IUPAC name is 3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID144576928
Molecular FormulaC22H32N6O2Si
Molecular Weight440.62 g/mol
Exact Mass440.24
IUPAC Name3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)c1nc2c(nc1Nc1cccnc1)c(C(N)=O)cn2COCC[Si](C)(C)C
InChIInChI=1S/C22H32N6O2Si/c1-22(2,3)18-20(25-15-8-7-9-24-12-15)26-17-16(19(23)29)13-28(21(17)27-18)14-30-10-11-31(4,5)6/h7-9,12-13H,10-11,14H2,1-6H3,(H2,23,29)(H,25,26)
InChIKeyJBGVVTCZJWHPNC-UHFFFAOYSA-N
XLogP4.28
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-tert-butyl-2-[(5-methylsulfonyl-3-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 90041606
N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 90040937
3-tert-butyl-2-[5-(difluoromethoxy)-1-(3-oxopropyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 89421616
2-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453202
N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 131735557
1-(2-anilino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;1-[2-anilino-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 159711522
(3-amino-2,2-dimethyl-3-oxopropyl) 2-[[2-(methylamino)-2-oxoethyl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 67008738
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 90041616
2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 86677968
1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
CID 88906942
2-[(6-methyl-2-pyridinyl)oxy]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 67125213
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 144576928) is 3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)c1nc2c(nc1Nc1cccnc1)c(C(N)=O)cn2COCC[Si](C)(C)C.
What is the InChIKey of 3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JBGVVTCZJWHPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2Si/c1-22(2,3)18-20(25-15-8-7-9-24-12-15)26-17-16(19(23)29)13-28(21(17)27-18)14-30-10-11-31(4,5)6/h7-9,12-13H,10-11,14H2,1-6H3,(H2,23,29)(H,25,26).
What are the key properties of 3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 440.62 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 144576928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).