5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one

C32H39N9O5Si — CID 177250805

About 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one

5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one (PubChem CID 177250805) has the molecular formula C32H39N9O5Si and a molecular weight of 657.81 g/mol. Its IUPAC name is 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
• PubChem CID: 177250805
• Molecular Formula: C32H39N9O5Si
• Molecular Weight: 657.81 g/mol
• Exact Mass: 657.28
• IUPAC Name: 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
• SMILES: COc1cc2c(cc1-n1nc(NCCN3CCOCC3)c3cnc(-c4cnn5cccnc45)cc31)oc(=O)n2COCC[Si](C)(C)C
• InChI: InChI=1S/C32H39N9O5Si/c1-43-28-17-26-29(46-32(42)39(26)21-45-14-15-47(2,3)4)18-27(28)41-25-16-24(22-20-36-40-8-5-6-34-31(22)40)35-19-23(25)30(37-41)33-7-9-38-10-12-44-13-11-38/h5-6,8,16-20H,7,9-15,21H2,1-4H3,(H,33,37)
• InChIKey: RJSPURYZPVRSNE-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 139.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.81
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?

The IUPAC name of 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one (CID 177250805) is 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one.

What is the SMILES notation for 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?

The canonical SMILES for 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one is COc1cc2c(cc1-n1nc(NCCN3CCOCC3)c3cnc(-c4cnn5cccnc45)cc31)oc(=O)n2COCC[Si](C)(C)C.

What is the InChIKey of 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?

The InChIKey is RJSPURYZPVRSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N9O5Si/c1-43-28-17-26-29(46-32(42)39(26)21-45-14-15-47(2,3)4)18-27(28)41-25-16-24(22-20-36-40-8-5-6-34-31(22)40)35-19-23(25)30(37-41)33-7-9-38-10-12-44-13-11-38/h5-6,8,16-20H,7,9-15,21H2,1-4H3,(H,33,37).

What are the key properties of 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one?

5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one has a molecular weight of 657.81 g/mol, XLogP of 4.10, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-6-[3-(2-morpholin-4-ylethylamino)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridin-1-yl]-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 177250805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).