N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide

C26H37N5O5Si — CID 152573786

About N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide

N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide (PubChem CID 152573786) has the molecular formula C26H37N5O5Si and a molecular weight of 527.70 g/mol. Its IUPAC name is N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
• PubChem CID: 152573786
• Molecular Formula: C26H37N5O5Si
• Molecular Weight: 527.70 g/mol
• Exact Mass: 527.26
• IUPAC Name: N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide
• SMILES: COCc1cc(-c2nn(COCC[Si](C)(C)C)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1
• InChI: InChI=1S/C26H37N5O5Si/c1-18(32)28-24-13-20-22(14-27-24)31(17-36-9-10-37(4,5)6)30-25(20)21-11-19(15-33-2)12-23(29-21)26(34-3)7-8-35-16-26/h11-14H,7-10,15-17H2,1-6H3,(H,27,28,32)/t26-/m0/s1
• InChIKey: YSAVYMYJEBMHCH-SANMLTNESA-N
• XLogP: 4.17
• TPSA: 109.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.70
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?

The IUPAC name of N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide (CID 152573786) is N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide.

What is the SMILES notation for N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?

The canonical SMILES for N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide is COCc1cc(-c2nn(COCC[Si](C)(C)C)c3cnc(NC(C)=O)cc23)nc([C@]2(OC)CCOC2)c1.

What is the InChIKey of N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?

The InChIKey is YSAVYMYJEBMHCH-SANMLTNESA-N. The full InChI is InChI=1S/C26H37N5O5Si/c1-18(32)28-24-13-20-22(14-27-24)31(17-36-9-10-37(4,5)6)30-25(20)21-11-19(15-33-2)12-23(29-21)26(34-3)7-8-35-16-26/h11-14H,7-10,15-17H2,1-6H3,(H,27,28,32)/t26-/m0/s1.

What are the key properties of N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide?

N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide has a molecular weight of 527.70 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 152573786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).