[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol

C74H109BrN10O8Si4 — CID 158661436

About [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol

[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol (PubChem CID 158661436) has the molecular formula C74H109BrN10O8Si4 and a molecular weight of 1459.00 g/mol. Its IUPAC name is [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol.

Molecular Properties

• Compound Name: [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol
• PubChem CID: 158661436
• Molecular Formula: C74H109BrN10O8Si4
• Molecular Weight: 1459.00 g/mol
• Exact Mass: 1456.67
• IUPAC Name: [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol
• SMILES: COC1(CO)CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1.COC1(CO)CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1
• InChI: InChI=1S/C37H54BrN5O4Si2.C37H55N5O4Si2/c1-45-37(25-44)17-15-29(16-18-37)34-33(38)36(42(26-46-19-21-48(2,3)4)27-47-20-22-49(5,6)7)43-35(41-34)31(24-40-43)30-13-14-32(39-23-30)28-11-9-8-10-12-28;1-44-37(26-43)17-15-30(16-18-37)34-23-35(41(27-45-19-21-47(2,3)4)28-46-20-22-48(5,6)7)42-36(40-34)32(25-39-42)31-13-14-33(38-24-31)29-11-9-8-10-12-29/h8-14,23-24,29,44H,15-22,25-27H2,1-7H3;8-14,23-25,30,43H,15-22,26-28H2,1-7H3
• InChIKey: ICUPNYSYXPBOFM-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 188.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 32
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1459.00
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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 [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol?

The IUPAC name of [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol (CID 158661436) is [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol.

What is the SMILES notation for [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol?

The canonical SMILES for [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol is COC1(CO)CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1.COC1(CO)CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1.

What is the InChIKey of [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol?

The InChIKey is ICUPNYSYXPBOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H54BrN5O4Si2.C37H55N5O4Si2/c1-45-37(25-44)17-15-29(16-18-37)34-33(38)36(42(26-46-19-21-48(2,3)4)27-47-20-22-49(5,6)7)43-35(41-34)31(24-40-43)30-13-14-32(39-23-30)28-11-9-8-10-12-28;1-44-37(26-43)17-15-30(16-18-37)34-23-35(41(27-45-19-21-47(2,3)4)28-46-20-22-48(5,6)7)42-36(40-34)32(25-39-42)31-13-14-33(38-24-31)29-11-9-8-10-12-29/h8-14,23-24,29,44H,15-22,25-27H2,1-7H3;8-14,23-25,30,43H,15-22,26-28H2,1-7H3.

What are the key properties of [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol?

[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol has a molecular weight of 1459.00 g/mol, XLogP of 16.61, 32 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol is sourced from PubChem (CID 158661436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).