5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C29H43FN6O2Si2 — CID 66584565

IUPAC5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(CCN)nc2c(-c3cnc4ccc(F)cc4c3)cnn12
InChIInChI=1S/C29H43FN6O2Si2/c1-39(2,3)13-11-37-20-35(21-38-12-14-40(4,5)6)28-17-25(9-10-31)34-29-26(19-33-36(28)29)23-15-22-16-24(30)7-8-27(22)32-18-23/h7-8,15-19H,9-14,20-21,31H2,1-6H3
InChIKeyCHTIKQLLZLAFHG-UHFFFAOYSA-N
MW582.87 g/mol
LogP6.02
Rot. Bonds14

About 5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 66584565) has the molecular formula C29H43FN6O2Si2 and a molecular weight of 582.87 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID66584565
Molecular FormulaC29H43FN6O2Si2
Molecular Weight582.87 g/mol
Exact Mass582.30
IUPAC Name5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(CCN)nc2c(-c3cnc4ccc(F)cc4c3)cnn12
InChIInChI=1S/C29H43FN6O2Si2/c1-39(2,3)13-11-37-20-35(21-38-12-14-40(4,5)6)28-17-25(9-10-31)34-29-26(19-33-36(28)29)23-15-22-16-24(30)7-8-27(22)32-18-23/h7-8,15-19H,9-14,20-21,31H2,1-6H3
InChIKeyCHTIKQLLZLAFHG-UHFFFAOYSA-N
XLogP6.02
TPSA90.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.87
LogP ≤ 56.02
H-Bond Donors ≤ 51
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'}

Analyze 5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-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-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 66584565) is 5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(CCN)nc2c(-c3cnc4ccc(F)cc4c3)cnn12.
What is the InChIKey of 5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CHTIKQLLZLAFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43FN6O2Si2/c1-39(2,3)13-11-37-20-35(21-38-12-14-40(4,5)6)28-17-25(9-10-31)34-29-26(19-33-36(28)29)23-15-22-16-24(30)7-8-27(22)32-18-23/h7-8,15-19H,9-14,20-21,31H2,1-6H3.
What are the key properties of 5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 582.87 g/mol, XLogP of 6.02, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 66584565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).