2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate

C38H55N7O7Si — CID 66586751

IUPAC2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate
SMILESC=C(OCC)c1c(C2CCC(OCCOC)(C(=O)OCCOC)CC2)nc2c(-c3ccc(-c4ccn(C)n4)nc3)cnn2c1NCOCC[Si](C)(C)C
InChIInChI=1S/C38H55N7O7Si/c1-9-50-27(2)33-34(28-12-15-38(16-13-28,52-21-19-48-5)37(46)51-20-18-47-4)42-35-30(29-10-11-31(39-24-29)32-14-17-44(3)43-32)25-41-45(35)36(33)40-26-49-22-23-53(6,7)8/h10-11,14,17,24-25,28,40H,2,9,12-13,15-16,18-23,26H2,1,3-8H3
InChIKeyQTVRIBAMWYMXCG-UHFFFAOYSA-N
MW749.99 g/mol
LogP6.17
Rot. Bonds20

About 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate

2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate (PubChem CID 66586751) has the molecular formula C38H55N7O7Si and a molecular weight of 749.99 g/mol. Its IUPAC name is 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate
PubChem CID66586751
Molecular FormulaC38H55N7O7Si
Molecular Weight749.99 g/mol
Exact Mass749.39
IUPAC Name2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate
SMILESC=C(OCC)c1c(C2CCC(OCCOC)(C(=O)OCCOC)CC2)nc2c(-c3ccc(-c4ccn(C)n4)nc3)cnn2c1NCOCC[Si](C)(C)C
InChIInChI=1S/C38H55N7O7Si/c1-9-50-27(2)33-34(28-12-15-38(16-13-28,52-21-19-48-5)37(46)51-20-18-47-4)42-35-30(29-10-11-31(39-24-29)32-14-17-44(3)43-32)25-41-45(35)36(33)40-26-49-22-23-53(6,7)8/h10-11,14,17,24-25,28,40H,2,9,12-13,15-16,18-23,26H2,1,3-8H3
InChIKeyQTVRIBAMWYMXCG-UHFFFAOYSA-N
XLogP6.17
TPSA145.38 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500749.99
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate 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 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate?
The IUPAC name of 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate (CID 66586751) is 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate is C=C(OCC)c1c(C2CCC(OCCOC)(C(=O)OCCOC)CC2)nc2c(-c3ccc(-c4ccn(C)n4)nc3)cnn2c1NCOCC[Si](C)(C)C.
What is the InChIKey of 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate?
The InChIKey is QTVRIBAMWYMXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H55N7O7Si/c1-9-50-27(2)33-34(28-12-15-38(16-13-28,52-21-19-48-5)37(46)51-20-18-47-4)42-35-30(29-10-11-31(39-24-29)32-14-17-44(3)43-32)25-41-45(35)36(33)40-26-49-22-23-53(6,7)8/h10-11,14,17,24-25,28,40H,2,9,12-13,15-16,18-23,26H2,1,3-8H3.
What are the key properties of 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate?
2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate has a molecular weight of 749.99 g/mol, XLogP of 6.17, 20 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[6-(1-ethoxyethenyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 66586751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).