3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one

C35H41N5O3Si — CID 152925158

IUPAC3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(Nc3ccn(COCC[Si](C)(C)C)n3)Cc3c(C4=CCCCC4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C35H41N5O3Si/c1-42-28-17-15-26(16-18-28)32-29(36-31-19-20-39(37-31)24-43-21-22-44(2,3)4)23-30-33(25-11-7-5-8-12-25)34(38-40(30)35(32)41)27-13-9-6-10-14-27/h6,9-11,13-20H,5,7-8,12,21-24H2,1-4H3,(H,36,37)
InChIKeyUJWDKLKDLRLDBY-UHFFFAOYSA-N
MW607.83 g/mol
LogP7.74
Rot. Bonds11

About 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one

3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 152925158) has the molecular formula C35H41N5O3Si and a molecular weight of 607.83 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID152925158
Molecular FormulaC35H41N5O3Si
Molecular Weight607.83 g/mol
Exact Mass607.30
IUPAC Name3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(Nc3ccn(COCC[Si](C)(C)C)n3)Cc3c(C4=CCCCC4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C35H41N5O3Si/c1-42-28-17-15-26(16-18-28)32-29(36-31-19-20-39(37-31)24-43-21-22-44(2,3)4)23-30-33(25-11-7-5-8-12-25)34(38-40(30)35(32)41)27-13-9-6-10-14-27/h6,9-11,13-20H,5,7-8,12,21-24H2,1-4H3,(H,36,37)
InChIKeyUJWDKLKDLRLDBY-UHFFFAOYSA-N
XLogP7.74
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.83
LogP ≤ 57.74
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one (CID 152925158) is 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one is COc1ccc(C2=C(Nc3ccn(COCC[Si](C)(C)C)n3)Cc3c(C4=CCCCC4)c(-c4ccccc4)nn3C2=O)cc1.
What is the InChIKey of 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is UJWDKLKDLRLDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O3Si/c1-42-28-17-15-26(16-18-28)32-29(36-31-19-20-39(37-31)24-43-21-22-44(2,3)4)23-30-33(25-11-7-5-8-12-25)34(38-40(30)35(32)41)27-13-9-6-10-14-27/h6,9-11,13-20H,5,7-8,12,21-24H2,1-4H3,(H,36,37).
What are the key properties of 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one?
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 607.83 g/mol, XLogP of 7.74, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 152925158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).