[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol

C51H73N11O4Si2 — CID 157105881

About [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol

[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol (PubChem CID 157105881) has the molecular formula C51H73N11O4Si2 and a molecular weight of 960.39 g/mol. Its IUPAC name is [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol
• PubChem CID: 157105881
• Molecular Formula: C51H73N11O4Si2
• Molecular Weight: 960.39 g/mol
• Exact Mass: 959.54
• IUPAC Name: [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol
• SMILES: C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2C[C@H]3CC[C@@H](C2)C3)nc2c(-c3ccc(CO)nc3)cnn12.Nc1cc(C2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(CO)nc3)cnn12
• InChI: InChI=1S/C32H51N5O3Si2.C19H22N6O/c1-41(2,3)13-11-39-22-36(23-40-12-14-42(4,5)6)31-18-30(27-16-24-7-8-25(15-24)17-27)35-32-29(20-34-37(31)32)26-9-10-28(21-38)33-19-26;20-18-7-17(12-5-13-3-4-14(6-12)23-13)24-19-16(9-22-25(18)19)11-1-2-15(10-26)21-8-11/h9-10,18-20,24-25,27,38H,7-8,11-17,21-23H2,1-6H3;1-2,7-9,12-14,23,26H,3-6,10,20H2/t24-,25+,27?;12?,13-,14+
• InChIKey: AGHICUWLXFRJSP-YFJJLRBKSA-N
• XLogP: 8.87
• TPSA: 186.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	960.39
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol?

The IUPAC name of [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol (CID 157105881) is [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol.

What is the SMILES notation for [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol?

The canonical SMILES for [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol is C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2C[C@H]3CC[C@@H](C2)C3)nc2c(-c3ccc(CO)nc3)cnn12.Nc1cc(C2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(CO)nc3)cnn12.

What is the InChIKey of [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol?

The InChIKey is AGHICUWLXFRJSP-YFJJLRBKSA-N. The full InChI is InChI=1S/C32H51N5O3Si2.C19H22N6O/c1-41(2,3)13-11-39-22-36(23-40-12-14-42(4,5)6)31-18-30(27-16-24-7-8-25(15-24)17-27)35-32-29(20-34-37(31)32)26-9-10-28(21-38)33-19-26;20-18-7-17(12-5-13-3-4-14(6-12)23-13)24-19-16(9-22-25(18)19)11-1-2-15(10-26)21-8-11/h9-10,18-20,24-25,27,38H,7-8,11-17,21-23H2,1-6H3;1-2,7-9,12-14,23,26H,3-6,10,20H2/t24-,25+,27?;12?,13-,14+.

What are the key properties of [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol?

[5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol has a molecular weight of 960.39 g/mol, XLogP of 8.87, 17 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[7-amino-5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol;[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 157105881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).