5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C36H51N5O3Si2 — CID 86686669

IUPAC5-(1-oxaspiro[2.5]octan-6-yl)-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)c1cc(C2CCC3(CC2)CO3)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C36H51N5O3Si2/c1-45(2,3)20-18-42-26-40(27-43-19-21-46(4,5)6)34-22-33(29-14-16-36(17-15-29)25-44-36)39-35-31(24-38-41(34)35)30-12-13-32(37-23-30)28-10-8-7-9-11-28/h7-13,22-24,29H,14-21,25-27H2,1-6H3
InChIKeyLCKFNVBWUFRQJE-UHFFFAOYSA-N
MW658.01 g/mol
LogP8.32
Rot. Bonds14

About 5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 86686669) has the molecular formula C36H51N5O3Si2 and a molecular weight of 658.01 g/mol. Its IUPAC name is 5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID86686669
Molecular FormulaC36H51N5O3Si2
Molecular Weight658.01 g/mol
Exact Mass657.35
IUPAC Name5-(1-oxaspiro[2.5]octan-6-yl)-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)c1cc(C2CCC3(CC2)CO3)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C36H51N5O3Si2/c1-45(2,3)20-18-42-26-40(27-43-19-21-46(4,5)6)34-22-33(29-14-16-36(17-15-29)25-44-36)39-35-31(24-38-41(34)35)30-12-13-32(37-23-30)28-10-8-7-9-11-28/h7-13,22-24,29H,14-21,25-27H2,1-6H3
InChIKeyLCKFNVBWUFRQJE-UHFFFAOYSA-N
XLogP8.32
TPSA77.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.01
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-(1-oxaspiro[2.5]octan-6-yl)-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-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 86686669) is 5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(1-oxaspiro[2.5]octan-6-yl)-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)c1cc(C2CCC3(CC2)CO3)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of 5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LCKFNVBWUFRQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51N5O3Si2/c1-45(2,3)20-18-42-26-40(27-43-19-21-46(4,5)6)34-22-33(29-14-16-36(17-15-29)25-44-36)39-35-31(24-38-41(34)35)30-12-13-32(37-23-30)28-10-8-7-9-11-28/h7-13,22-24,29H,14-21,25-27H2,1-6H3.
What are the key properties of 5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 658.01 g/mol, XLogP of 8.32, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxaspiro[2.5]octan-6-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 86686669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).