[3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

C29H35N5O4Si — CID 68617336

IUPAC[3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C29H35N5O4Si/c1-36-28-24(9-6-10-30-28)26-25-18-23(19-31-27(25)34(32-26)20-38-15-16-39(2,3)4)21-7-5-8-22(17-21)29(35)33-11-13-37-14-12-33/h5-10,17-19H,11-16,20H2,1-4H3
InChIKeyHGQZPHKJKLMNON-UHFFFAOYSA-N
MW545.72 g/mol
LogP4.95
Rot. Bonds9

About [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

[3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 68617336) has the molecular formula C29H35N5O4Si and a molecular weight of 545.72 g/mol. Its IUPAC name is [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID68617336
Molecular FormulaC29H35N5O4Si
Molecular Weight545.72 g/mol
Exact Mass545.25
IUPAC Name[3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12
InChIInChI=1S/C29H35N5O4Si/c1-36-28-24(9-6-10-30-28)26-25-18-23(19-31-27(25)34(32-26)20-38-15-16-39(2,3)4)21-7-5-8-22(17-21)29(35)33-11-13-37-14-12-33/h5-10,17-19H,11-16,20H2,1-4H3
InChIKeyHGQZPHKJKLMNON-UHFFFAOYSA-N
XLogP4.95
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.72
LogP ≤ 54.95
H-Bond Donors ≤ 50
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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Related Compounds

N-methyl-4-(quinolin-2-ylmethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)benzamide
CID 56596178
1-[(3R)-3-[4-amino-3-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130203350
N,N-diethyl-1-methyl-6-[(6-methyl-2-pyridinyl)methoxy]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 76310874
[1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridin-3-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 76321786
N,N-diethyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 76328955
[1-Methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridin-3-yl]-morpholin-4-ylmethanone
CID 76332629
[4-(3-Methoxyphenyl)piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16328592
N-(furan-2-ylmethyl)-3-methyl-1-phenyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 2123150
[4-(2-Methoxyphenyl)piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 16317061
[4-[2-(4-Methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-pyridinyl)methanone
CID 44607977
4-(2-methoxyphenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 118740451
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2-methoxypyridin-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 129105394

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 68617336) is [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is COc1ncccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)N4CCOCC4)c3)cc12.
What is the InChIKey of [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is HGQZPHKJKLMNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O4Si/c1-36-28-24(9-6-10-30-28)26-25-18-23(19-31-27(25)34(32-26)20-38-15-16-39(2,3)4)21-7-5-8-22(17-21)29(35)33-11-13-37-14-12-33/h5-10,17-19H,11-16,20H2,1-4H3.
What are the key properties of [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 545.72 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 68617336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).