N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide

C24H29N5O4SSi — CID 156716919

IUPACN-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1cc(-c2nc(-c3c[nH]c4ncccc34)cs2)c(=O)n(COCC[Si](C)(C)C)c1
InChIInChI=1S/C24H29N5O4SSi/c1-28(32-2)23(30)16-11-18(24(31)29(13-16)15-33-9-10-35(3,4)5)22-27-20(14-34-22)19-12-26-21-17(19)7-6-8-25-21/h6-8,11-14H,9-10,15H2,1-5H3,(H,25,26)
InChIKeyFAICBQMHABXANF-UHFFFAOYSA-N
MW511.68 g/mol
LogP4.46
Rot. Bonds9

About N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide

N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide (PubChem CID 156716919) has the molecular formula C24H29N5O4SSi and a molecular weight of 511.68 g/mol. Its IUPAC name is N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide
PubChem CID156716919
Molecular FormulaC24H29N5O4SSi
Molecular Weight511.68 g/mol
Exact Mass511.17
IUPAC NameN-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1cc(-c2nc(-c3c[nH]c4ncccc34)cs2)c(=O)n(COCC[Si](C)(C)C)c1
InChIInChI=1S/C24H29N5O4SSi/c1-28(32-2)23(30)16-11-18(24(31)29(13-16)15-33-9-10-35(3,4)5)22-27-20(14-34-22)19-12-26-21-17(19)7-6-8-25-21/h6-8,11-14H,9-10,15H2,1-5H3,(H,25,26)
InChIKeyFAICBQMHABXANF-UHFFFAOYSA-N
XLogP4.46
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.68
LogP ≤ 54.46
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide (CID 156716919) is N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide is CON(C)C(=O)c1cc(-c2nc(-c3c[nH]c4ncccc34)cs2)c(=O)n(COCC[Si](C)(C)C)c1.
What is the InChIKey of N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide?
The InChIKey is FAICBQMHABXANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4SSi/c1-28(32-2)23(30)16-11-18(24(31)29(13-16)15-33-9-10-35(3,4)5)22-27-20(14-34-22)19-12-26-21-17(19)7-6-8-25-21/h6-8,11-14H,9-10,15H2,1-5H3,(H,25,26).
What are the key properties of N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide?
N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide has a molecular weight of 511.68 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-6-oxo-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 156716919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).