5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide

C18H24N4O2Si — CID 170649361

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(C(N)=O)cc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C18H24N4O2Si/c1-25(2,3)9-8-24-12-22-11-13(17(19)23)10-16(22)14-4-6-20-18-15(14)5-7-21-18/h4-7,10-11H,8-9,12H2,1-3H3,(H2,19,23)(H,20,21)
InChIKeyLCNXZHIOSCQSRG-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.44
Rot. Bonds7

About 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide

5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide (PubChem CID 170649361) has the molecular formula C18H24N4O2Si and a molecular weight of 356.50 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
PubChem CID170649361
Molecular FormulaC18H24N4O2Si
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(C(N)=O)cc1-c1ccnc2[nH]ccc12
InChIInChI=1S/C18H24N4O2Si/c1-25(2,3)9-8-24-12-22-11-13(17(19)23)10-16(22)14-4-6-20-18-15(14)5-7-21-18/h4-7,10-11H,8-9,12H2,1-3H3,(H2,19,23)(H,20,21)
InChIKeyLCNXZHIOSCQSRG-UHFFFAOYSA-N
XLogP3.44
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(3,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 165391916
2-dibenzothiophen-4-yl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 165391919
2-(2,4-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid
CID 171744199
2-(2-fluoro-4-methylphenyl)-4-prop-1-en-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 165391952
2-(4-fluoro-2-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylic acid
CID 165392032
2-(2-fluoro-4-methylphenyl)-4-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide
CID 165391801
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
CID 164603219
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
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
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide (CID 170649361) is 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide is C[Si](C)(C)CCOCn1cc(C(N)=O)cc1-c1ccnc2[nH]ccc12.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
The InChIKey is LCNXZHIOSCQSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2Si/c1-25(2,3)9-8-24-12-22-11-13(17(19)23)10-16(22)14-4-6-20-18-15(14)5-7-21-18/h4-7,10-11H,8-9,12H2,1-3H3,(H2,19,23)(H,20,21).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide?
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 170649361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).