N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide

C31H47N7O4Si — CID 174054461

About N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 174054461) has the molecular formula C31H47N7O4Si and a molecular weight of 609.85 g/mol. Its IUPAC name is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
• PubChem CID: 174054461
• Molecular Formula: C31H47N7O4Si
• Molecular Weight: 609.85 g/mol
• Exact Mass: 609.35
• IUPAC Name: N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
• SMILES: CC(COc1cccc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c3cnn(COCC[Si](C)(C)C)c23)c1)N(C)C
• InChI: InChI=1S/C31H47N7O4Si/c1-21-11-12-27(23-9-8-10-24(15-23)42-19-22(2)36(3)4)37(18-21)31(40)30(39)35-26-17-33-29(32)25-16-34-38(28(25)26)20-41-13-14-43(5,6)7/h8-10,15-17,21-22,27H,11-14,18-20H2,1-7H3,(H2,32,33)(H,35,39)/t21-,22?,27+/m0/s1
• InChIKey: WBPNVHDYZCOUPT-IOAOJOEPSA-N
• XLogP: 4.59
• TPSA: 127.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.85
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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'}

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)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 174054461) is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-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)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide is CC(COc1cccc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c3cnn(COCC[Si](C)(C)C)c23)c1)N(C)C.

What is the InChIKey of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?

The InChIKey is WBPNVHDYZCOUPT-IOAOJOEPSA-N. The full InChI is InChI=1S/C31H47N7O4Si/c1-21-11-12-27(23-9-8-10-24(15-23)42-19-22(2)36(3)4)37(18-21)31(40)30(39)35-26-17-33-29(32)25-16-34-38(28(25)26)20-41-13-14-43(5,6)7/h8-10,15-17,21-22,27H,11-14,18-20H2,1-7H3,(H2,32,33)(H,35,39)/t21-,22?,27+/m0/s1.

What are the key properties of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 609.85 g/mol, XLogP of 4.59, 11 rotatable bonds, 2 hydrogen bond donors, and 9 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)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 174054461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).