N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide

C26H37N7O3Si — CID 169113136

IUPACN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c3cnn(COCC[Si](C)(C)C)c23)cn1
InChIInChI=1S/C26H37N7O3Si/c1-17-6-9-22(19-8-7-18(2)28-12-19)32(15-17)26(35)25(34)31-21-14-29-24(27)20-13-30-33(23(20)21)16-36-10-11-37(3,4)5/h7-8,12-14,17,22H,6,9-11,15-16H2,1-5H3,(H2,27,29)(H,31,34)/t17-,22+/m0/s1
InChIKeyZDJYNQHYVFZFLF-HTAPYJJXSA-N
MW523.71 g/mol
LogP3.97
Rot. Bonds7

About N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 169113136) has the molecular formula C26H37N7O3Si and a molecular weight of 523.71 g/mol. Its IUPAC name is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID169113136
Molecular FormulaC26H37N7O3Si
Molecular Weight523.71 g/mol
Exact Mass523.27
IUPAC NameN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c3cnn(COCC[Si](C)(C)C)c23)cn1
InChIInChI=1S/C26H37N7O3Si/c1-17-6-9-22(19-8-7-18(2)28-12-19)32(15-17)26(35)25(34)31-21-14-29-24(27)20-13-30-33(23(20)21)16-36-10-11-37(3,4)5/h7-8,12-14,17,22H,6,9-11,15-16H2,1-5H3,(H2,27,29)(H,31,34)/t17-,22+/m0/s1
InChIKeyZDJYNQHYVFZFLF-HTAPYJJXSA-N
XLogP3.97
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.71
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide (CID 169113136) is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide is Cc1ccc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c3cnn(COCC[Si](C)(C)C)c23)cn1.
What is the InChIKey of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is ZDJYNQHYVFZFLF-HTAPYJJXSA-N. The full InChI is InChI=1S/C26H37N7O3Si/c1-17-6-9-22(19-8-7-18(2)28-12-19)32(15-17)26(35)25(34)31-21-14-29-24(27)20-13-30-33(23(20)21)16-36-10-11-37(3,4)5/h7-8,12-14,17,22H,6,9-11,15-16H2,1-5H3,(H2,27,29)(H,31,34)/t17-,22+/m0/s1.
What are the key properties of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide?
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 523.71 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169113136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).