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

C35H42N6O3Si — CID 140853465

IUPAC3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2c(Nc3ccn(COCC[Si](C)(C)C)n3)nc3c(C4=CCCCC4)c(-c4ccccc4)nn3c2OC)cc1
InChIInChI=1S/C35H42N6O3Si/c1-42-28-18-16-26(17-19-28)31-33(36-29-20-21-40(38-29)24-44-22-23-45(3,4)5)37-34-30(25-12-8-6-9-13-25)32(27-14-10-7-11-15-27)39-41(34)35(31)43-2/h7,10-12,14-21H,6,8-9,13,22-24H2,1-5H3,(H,36,37,38)
InChIKeyQHZUGXLUCMSKMD-UHFFFAOYSA-N
MW622.85 g/mol
LogP8.29
Rot. Bonds12

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

3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 140853465) has the molecular formula C35H42N6O3Si and a molecular weight of 622.85 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID140853465
Molecular FormulaC35H42N6O3Si
Molecular Weight622.85 g/mol
Exact Mass622.31
IUPAC Name3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(-c2c(Nc3ccn(COCC[Si](C)(C)C)n3)nc3c(C4=CCCCC4)c(-c4ccccc4)nn3c2OC)cc1
InChIInChI=1S/C35H42N6O3Si/c1-42-28-18-16-26(17-19-28)31-33(36-29-20-21-40(38-29)24-44-22-23-45(3,4)5)37-34-30(25-12-8-6-9-13-25)32(27-14-10-7-11-15-27)39-41(34)35(31)43-2/h7,10-12,14-21H,6,8-9,13,22-24H2,1-5H3,(H,36,37,38)
InChIKeyQHZUGXLUCMSKMD-UHFFFAOYSA-N
XLogP8.29
TPSA87.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.85
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 140853465) is 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(-c2c(Nc3ccn(COCC[Si](C)(C)C)n3)nc3c(C4=CCCCC4)c(-c4ccccc4)nn3c2OC)cc1.
What is the InChIKey of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is QHZUGXLUCMSKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N6O3Si/c1-42-28-18-16-26(17-19-28)31-33(36-29-20-21-40(38-29)24-44-22-23-45(3,4)5)37-34-30(25-12-8-6-9-13-25)32(27-14-10-7-11-15-27)39-41(34)35(31)43-2/h7,10-12,14-21H,6,8-9,13,22-24H2,1-5H3,(H,36,37,38).
What are the key properties of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 622.85 g/mol, XLogP of 8.29, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 140853465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).