5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C35H53N7O2Si2 — CID 78028692

IUPAC5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1ccc(-c2ccc(-c3cnn4c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)cc(C5CC6CCC(C6)C5)nc34)cn2)n1
InChIInChI=1S/C35H53N7O2Si2/c1-40-13-12-32(39-40)31-11-10-28(22-36-31)30-23-37-42-34(21-33(38-35(30)42)29-19-26-8-9-27(18-26)20-29)41(24-43-14-16-45(2,3)4)25-44-15-17-46(5,6)7/h10-13,21-23,26-27,29H,8-9,14-20,24-25H2,1-7H3
InChIKeyWJAKXCKUTHPCNF-UHFFFAOYSA-N
MW660.03 g/mol
LogP7.92
Rot. Bonds14

About 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 78028692) has the molecular formula C35H53N7O2Si2 and a molecular weight of 660.03 g/mol. Its IUPAC name is 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID78028692
Molecular FormulaC35H53N7O2Si2
Molecular Weight660.03 g/mol
Exact Mass659.38
IUPAC Name5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1ccc(-c2ccc(-c3cnn4c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)cc(C5CC6CCC(C6)C5)nc34)cn2)n1
InChIInChI=1S/C35H53N7O2Si2/c1-40-13-12-32(39-40)31-11-10-28(22-36-31)30-23-37-42-34(21-33(38-35(30)42)29-19-26-8-9-27(18-26)20-29)41(24-43-14-16-45(2,3)4)25-44-15-17-46(5,6)7/h10-13,21-23,26-27,29H,8-9,14-20,24-25H2,1-7H3
InChIKeyWJAKXCKUTHPCNF-UHFFFAOYSA-N
XLogP7.92
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.03
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

Analyze 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine 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 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 78028692) is 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1ccc(-c2ccc(-c3cnn4c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)cc(C5CC6CCC(C6)C5)nc34)cn2)n1.
What is the InChIKey of 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WJAKXCKUTHPCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53N7O2Si2/c1-40-13-12-32(39-40)31-11-10-28(22-36-31)30-23-37-42-34(21-33(38-35(30)42)29-19-26-8-9-27(18-26)20-29)41(24-43-14-16-45(2,3)4)25-44-15-17-46(5,6)7/h10-13,21-23,26-27,29H,8-9,14-20,24-25H2,1-7H3.
What are the key properties of 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 660.03 g/mol, XLogP of 7.92, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 78028692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).