N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H32N6O3Si — CID 90040937

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Nc3cccnc3)nc12
InChIInChI=1S/C22H32N6O3Si/c1-22(2,14-29)27-21(30)17-13-28(15-31-9-10-32(3,4)5)20-19(17)26-18(12-24-20)25-16-7-6-8-23-11-16/h6-8,11-13,29H,9-10,14-15H2,1-5H3,(H,25,26)(H,27,30)
InChIKeyYAFSQBDMABSKEB-UHFFFAOYSA-N
MW456.62 g/mol
LogP3.38
Rot. Bonds10

About N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 90040937) has the molecular formula C22H32N6O3Si and a molecular weight of 456.62 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID90040937
Molecular FormulaC22H32N6O3Si
Molecular Weight456.62 g/mol
Exact Mass456.23
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Nc3cccnc3)nc12
InChIInChI=1S/C22H32N6O3Si/c1-22(2,14-29)27-21(30)17-13-28(15-31-9-10-32(3,4)5)20-19(17)26-18(12-24-20)25-16-7-6-8-23-11-16/h6-8,11-13,29H,9-10,14-15H2,1-5H3,(H,25,26)(H,27,30)
InChIKeyYAFSQBDMABSKEB-UHFFFAOYSA-N
XLogP3.38
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.62
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 90040937) is N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Nc3cccnc3)nc12.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YAFSQBDMABSKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O3Si/c1-22(2,14-29)27-21(30)17-13-28(15-31-9-10-32(3,4)5)20-19(17)26-18(12-24-20)25-16-7-6-8-23-11-16/h6-8,11-13,29H,9-10,14-15H2,1-5H3,(H,25,26)(H,27,30).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 456.62 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 90040937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).