N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide

C23H29N5O3Si — CID 175886392

IUPACN-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2cc3c(C(=O)NC)nn(COCC[Si](C)(C)C)c3cn2)c1
InChIInChI=1S/C23H29N5O3Si/c1-6-21(29)26-17-9-7-8-16(12-17)19-13-18-20(14-25-19)28(27-22(18)23(30)24-2)15-31-10-11-32(3,4)5/h6-9,12-14H,1,10-11,15H2,2-5H3,(H,24,30)(H,26,29)
InChIKeyVAACKJOOZQOSAO-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.89
Rot. Bonds9

About N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide

N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide (PubChem CID 175886392) has the molecular formula C23H29N5O3Si and a molecular weight of 451.60 g/mol. Its IUPAC name is N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide
PubChem CID175886392
Molecular FormulaC23H29N5O3Si
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC NameN-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2cc3c(C(=O)NC)nn(COCC[Si](C)(C)C)c3cn2)c1
InChIInChI=1S/C23H29N5O3Si/c1-6-21(29)26-17-9-7-8-16(12-17)19-13-18-20(14-25-19)28(27-22(18)23(30)24-2)15-31-10-11-32(3,4)5/h6-9,12-14H,1,10-11,15H2,2-5H3,(H,24,30)(H,26,29)
InChIKeyVAACKJOOZQOSAO-UHFFFAOYSA-N
XLogP3.89
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-6-yl]phenyl]prop-2-enamide
CID 162528089
5-[3-chloro-5-(prop-2-enoylamino)phenyl]-N-(1-methylpiperidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide
CID 162527738
methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
CID 162527237
N-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90096094
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide
CID 140778768
2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
CID 175820295
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
4-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-5-[4-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxamide
CID 175415712
N-[3-(1-methyltriazol-4-yl)phenyl]prop-2-enamide
CID 139018846
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide (CID 175886392) is N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide is C=CC(=O)Nc1cccc(-c2cc3c(C(=O)NC)nn(COCC[Si](C)(C)C)c3cn2)c1.
What is the InChIKey of N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide?
The InChIKey is VAACKJOOZQOSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3Si/c1-6-21(29)26-17-9-7-8-16(12-17)19-13-18-20(14-25-19)28(27-22(18)23(30)24-2)15-31-10-11-32(3,4)5/h6-9,12-14H,1,10-11,15H2,2-5H3,(H,24,30)(H,26,29).
What are the key properties of N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide?
N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide has a molecular weight of 451.60 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 175886392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).