7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

C35H39N7O4Si — CID 140853459

IUPAC7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2c(Nc3cc(OC)n(COCC[Si](C)(C)C)n3)nc3c(-c4ccccc4)c(-c4ccccn4)nn3c2OC)cc1
InChIInChI=1S/C35H39N7O4Si/c1-43-26-17-15-25(16-18-26)31-33(37-28-22-29(44-2)41(39-28)23-46-20-21-47(4,5)6)38-34-30(24-12-8-7-9-13-24)32(27-14-10-11-19-36-27)40-42(34)35(31)45-3/h7-19,22H,20-21,23H2,1-6H3,(H,37,38,39)
InChIKeyOVRZERJJIZDRDQ-UHFFFAOYSA-N
MW649.83 g/mol
LogP7.40
Rot. Bonds13

About 7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 140853459) has the molecular formula C35H39N7O4Si and a molecular weight of 649.83 g/mol. Its IUPAC name is 7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID140853459
Molecular FormulaC35H39N7O4Si
Molecular Weight649.83 g/mol
Exact Mass649.28
IUPAC Name7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2c(Nc3cc(OC)n(COCC[Si](C)(C)C)n3)nc3c(-c4ccccc4)c(-c4ccccn4)nn3c2OC)cc1
InChIInChI=1S/C35H39N7O4Si/c1-43-26-17-15-25(16-18-26)31-33(37-28-22-29(44-2)41(39-28)23-46-20-21-47(4,5)6)38-34-30(24-12-8-7-9-13-24)32(27-14-10-11-19-36-27)40-42(34)35(31)45-3/h7-19,22H,20-21,23H2,1-6H3,(H,37,38,39)
InChIKeyOVRZERJJIZDRDQ-UHFFFAOYSA-N
XLogP7.40
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500649.83
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 140853459) is 7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(-c2c(Nc3cc(OC)n(COCC[Si](C)(C)C)n3)nc3c(-c4ccccc4)c(-c4ccccn4)nn3c2OC)cc1.
What is the InChIKey of 7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is OVRZERJJIZDRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N7O4Si/c1-43-26-17-15-25(16-18-26)31-33(37-28-22-29(44-2)41(39-28)23-46-20-21-47(4,5)6)38-34-30(24-12-8-7-9-13-24)32(27-14-10-11-19-36-27)40-42(34)35(31)45-3/h7-19,22H,20-21,23H2,1-6H3,(H,37,38,39).
What are the key properties of 7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 649.83 g/mol, XLogP of 7.40, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 140853459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).