3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane

C71H106BClF2N10O6Si4 — CID 159672499

IUPAC3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane
SMILESC.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn12.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCCC2)nc2c(-c3ccc(Cl)nc3)cnn12.OB(O)c1ccccc1F
InChIInChI=1S/C35H50FN5O2Si2.C29H46ClN5O2Si2.C6H6BFO2.CH4/c1-44(2,3)20-18-42-25-40(26-43-19-21-45(4,5)6)34-22-33(27-12-8-7-9-13-27)39-35-30(24-38-41(34)35)28-16-17-32(37-23-28)29-14-10-11-15-31(29)36;1-38(2,3)16-14-36-21-34(22-37-15-17-39(4,5)6)28-18-26(23-10-8-7-9-11-23)33-29-25(20-32-35(28)29)24-12-13-27(30)31-19-24;8-6-4-2-1-3-5(6)7(9)10;/h10-11,14-17,22-24,27H,7-9,12-13,18-21,25-26H2,1-6H3;12-13,18-20,23H,7-11,14-17,21-22H2,1-6H3;1-4,9-10H;1H4
InChIKeyMUEFILOGMXYVSW-UHFFFAOYSA-N
MW1392.30 g/mol
LogP17.14
Rot. Bonds28

About 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane

3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane (PubChem CID 159672499) has the molecular formula C71H106BClF2N10O6Si4 and a molecular weight of 1392.30 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane
PubChem CID159672499
Molecular FormulaC71H106BClF2N10O6Si4
Molecular Weight1392.30 g/mol
Exact Mass1390.71
IUPAC Name3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane
SMILESC.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn12.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCCC2)nc2c(-c3ccc(Cl)nc3)cnn12.OB(O)c1ccccc1F
InChIInChI=1S/C35H50FN5O2Si2.C29H46ClN5O2Si2.C6H6BFO2.CH4/c1-44(2,3)20-18-42-25-40(26-43-19-21-45(4,5)6)34-22-33(27-12-8-7-9-13-27)39-35-30(24-38-41(34)35)28-16-17-32(37-23-28)29-14-10-11-15-31(29)36;1-38(2,3)16-14-36-21-34(22-37-15-17-39(4,5)6)28-18-26(23-10-8-7-9-11-23)33-29-25(20-32-35(28)29)24-12-13-27(30)31-19-24;8-6-4-2-1-3-5(6)7(9)10;/h10-11,14-17,22-24,27H,7-9,12-13,18-21,25-26H2,1-6H3;12-13,18-20,23H,7-11,14-17,21-22H2,1-6H3;1-4,9-10H;1H4
InChIKeyMUEFILOGMXYVSW-UHFFFAOYSA-N
XLogP17.14
TPSA170.02 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001392.30
LogP ≤ 517.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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'}

Analyze 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane (CID 159672499) is 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane is C.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn12.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCCC2)nc2c(-c3ccc(Cl)nc3)cnn12.OB(O)c1ccccc1F.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane?
The InChIKey is MUEFILOGMXYVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50FN5O2Si2.C29H46ClN5O2Si2.C6H6BFO2.CH4/c1-44(2,3)20-18-42-25-40(26-43-19-21-45(4,5)6)34-22-33(27-12-8-7-9-13-27)39-35-30(24-38-41(34)35)28-16-17-32(37-23-28)29-14-10-11-15-31(29)36;1-38(2,3)16-14-36-21-34(22-37-15-17-39(4,5)6)28-18-26(23-10-8-7-9-11-23)33-29-25(20-32-35(28)29)24-12-13-27(30)31-19-24;8-6-4-2-1-3-5(6)7(9)10;/h10-11,14-17,22-24,27H,7-9,12-13,18-21,25-26H2,1-6H3;12-13,18-20,23H,7-11,14-17,21-22H2,1-6H3;1-4,9-10H;1H4.
What are the key properties of 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane?
3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane has a molecular weight of 1392.30 g/mol, XLogP of 17.14, 28 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-5-cyclohexyl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[6-(2-fluorophenyl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;(2-fluorophenyl)boronic acid;methane is sourced from PubChem (CID 159672499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).