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

C37H52BrN5O2Si2 — CID 71128149

IUPAC5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CC3CCC(C3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C37H52BrN5O2Si2/c1-46(2,3)18-16-44-25-42(26-45-17-19-47(4,5)6)37-34(38)35(31-21-27-12-13-28(20-27)22-31)41-36-32(24-40-43(36)37)30-14-15-33(39-23-30)29-10-8-7-9-11-29/h7-11,14-15,23-24,27-28,31H,12-13,16-22,25-26H2,1-6H3
InChIKeyBRXXQHGZRVEKHZ-UHFFFAOYSA-N
MW734.93 g/mol
LogP9.95
Rot. Bonds14

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

5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71128149) has the molecular formula C37H52BrN5O2Si2 and a molecular weight of 734.93 g/mol. Its IUPAC name is 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71128149
Molecular FormulaC37H52BrN5O2Si2
Molecular Weight734.93 g/mol
Exact Mass733.28
IUPAC Name5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CC3CCC(C3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C37H52BrN5O2Si2/c1-46(2,3)18-16-44-25-42(26-45-17-19-47(4,5)6)37-34(38)35(31-21-27-12-13-28(20-27)22-31)41-36-32(24-40-43(36)37)30-14-15-33(39-23-30)29-10-8-7-9-11-29/h7-11,14-15,23-24,27-28,31H,12-13,16-22,25-26H2,1-6H3
InChIKeyBRXXQHGZRVEKHZ-UHFFFAOYSA-N
XLogP9.95
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.93
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-6-bromo-3-(6-phenyl-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)-6-bromo-3-(6-phenyl-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)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71128149) is 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-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)-6-bromo-3-(6-phenyl-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)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CC3CCC(C3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BRXXQHGZRVEKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52BrN5O2Si2/c1-46(2,3)18-16-44-25-42(26-45-17-19-47(4,5)6)37-34(38)35(31-21-27-12-13-28(20-27)22-31)41-36-32(24-40-43(36)37)30-14-15-33(39-23-30)29-10-8-7-9-11-29/h7-11,14-15,23-24,27-28,31H,12-13,16-22,25-26H2,1-6H3.
What are the key properties of 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 734.93 g/mol, XLogP of 9.95, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71128149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).