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

C23H34N6O3Si — CID 90041616

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(Nc2cnc3c(n2)c(C(=O)NC(C)(C)CO)cn3COCC[Si](C)(C)C)nc1
InChIInChI=1S/C23H34N6O3Si/c1-16-7-8-18(24-11-16)26-19-12-25-21-20(27-19)17(22(31)28-23(2,3)14-30)13-29(21)15-32-9-10-33(4,5)6/h7-8,11-13,30H,9-10,14-15H2,1-6H3,(H,28,31)(H,24,26,27)
InChIKeyGUDYFGPMDIDROX-UHFFFAOYSA-N
MW470.65 g/mol
LogP3.69
Rot. Bonds10

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

N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 90041616) has the molecular formula C23H34N6O3Si and a molecular weight of 470.65 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID90041616
Molecular FormulaC23H34N6O3Si
Molecular Weight470.65 g/mol
Exact Mass470.25
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(Nc2cnc3c(n2)c(C(=O)NC(C)(C)CO)cn3COCC[Si](C)(C)C)nc1
InChIInChI=1S/C23H34N6O3Si/c1-16-7-8-18(24-11-16)26-19-12-25-21-20(27-19)17(22(31)28-23(2,3)14-30)13-29(21)15-32-9-10-33(4,5)6/h7-8,11-13,30H,9-10,14-15H2,1-6H3,(H,28,31)(H,24,26,27)
InChIKeyGUDYFGPMDIDROX-UHFFFAOYSA-N
XLogP3.69
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.65
LogP ≤ 53.69
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-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 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) is N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(Nc2cnc3c(n2)c(C(=O)NC(C)(C)CO)cn3COCC[Si](C)(C)C)nc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is GUDYFGPMDIDROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O3Si/c1-16-7-8-18(24-11-16)26-19-12-25-21-20(27-19)17(22(31)28-23(2,3)14-30)13-29(21)15-32-9-10-33(4,5)6/h7-8,11-13,30H,9-10,14-15H2,1-6H3,(H,28,31)(H,24,26,27).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 470.65 g/mol, XLogP of 3.69, 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-[(5-methyl-2-pyridinyl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 90041616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).