N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide

C48H54N12O5Si — CID 174057033

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide (PubChem CID 174057033) has the molecular formula C48H54N12O5Si and a molecular weight of 907.13 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide.

Molecular Properties

• Compound Name: N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide
• PubChem CID: 174057033
• Molecular Formula: C48H54N12O5Si
• Molecular Weight: 907.13 g/mol
• Exact Mass: 906.41
• IUPAC Name: N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide
• SMILES: CCN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12.CCN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si](C)(C)C)c12
• InChI: InChI=1S/C27H34N6O3Si.C21H20N6O2/c1-5-32(17-20-11-8-10-19-9-6-7-12-21(19)20)27(35)26(34)31-23-16-29-25(28)22-15-30-33(24(22)23)18-36-13-14-37(2,3)4;1-2-27(12-14-8-5-7-13-6-3-4-9-15(13)14)21(29)20(28)25-17-11-23-19(22)16-10-24-26-18(16)17/h6-12,15-16H,5,13-14,17-18H2,1-4H3,(H2,28,29)(H,31,34);3-11H,2,12H2,1H3,(H2,22,23)(H,24,26)(H,25,28)
• InChIKey: QIVGFCXWSXEDLC-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 232.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	907.13
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

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-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide?

The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide (CID 174057033) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide.

What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide?

The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide is CCN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12.CCN(Cc1cccc2ccccc12)C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si](C)(C)C)c12.

What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide?

The InChIKey is QIVGFCXWSXEDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3Si.C21H20N6O2/c1-5-32(17-20-11-8-10-19-9-6-7-12-21(19)20)27(35)26(34)31-23-16-29-25(28)22-15-30-33(24(22)23)18-36-13-14-37(2,3)4;1-2-27(12-14-8-5-7-13-6-3-4-9-15(13)14)21(29)20(28)25-17-11-23-19(22)16-10-24-26-18(16)17/h6-12,15-16H,5,13-14,17-18H2,1-4H3,(H2,28,29)(H,31,34);3-11H,2,12H2,1H3,(H2,22,23)(H,24,26)(H,25,28).

What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide?

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide has a molecular weight of 907.13 g/mol, XLogP of 7.15, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(naphthalen-1-ylmethyl)oxamide is sourced from PubChem (CID 174057033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).