2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide

C28H35N5O4Si — CID 59824997

IUPAC2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C28H35N5O4Si/c1-32(2)28(35)26(34)21-13-19(15-29-16-21)20-14-23-25(22-9-7-8-10-24(22)36-3)31-33(27(23)30-17-20)18-37-11-12-38(4,5)6/h7-10,13-17,26,34H,11-12,18H2,1-6H3
InChIKeyFXHHABCJPIYHMT-UHFFFAOYSA-N
MW533.71 g/mol
LogP4.60
Rot. Bonds10

About 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide

2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (PubChem CID 59824997) has the molecular formula C28H35N5O4Si and a molecular weight of 533.71 g/mol. Its IUPAC name is 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
PubChem CID59824997
Molecular FormulaC28H35N5O4Si
Molecular Weight533.71 g/mol
Exact Mass533.25
IUPAC Name2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C28H35N5O4Si/c1-32(2)28(35)26(34)21-13-19(15-29-16-21)20-14-23-25(22-9-7-8-10-24(22)36-3)31-33(27(23)30-17-20)18-37-11-12-38(4,5)6/h7-10,13-17,26,34H,11-12,18H2,1-6H3
InChIKeyFXHHABCJPIYHMT-UHFFFAOYSA-N
XLogP4.60
TPSA102.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.71
LogP ≤ 54.60
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 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (CID 59824997) is 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12.
What is the InChIKey of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
The InChIKey is FXHHABCJPIYHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O4Si/c1-32(2)28(35)26(34)21-13-19(15-29-16-21)20-14-23-25(22-9-7-8-10-24(22)36-3)31-33(27(23)30-17-20)18-37-11-12-38(4,5)6/h7-10,13-17,26,34H,11-12,18H2,1-6H3.
What are the key properties of 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?
2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide has a molecular weight of 533.71 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 59824997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).