4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide

C16H22N6O2Si — CID 141450642

IUPAC4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3C(N)=O)ncnc21
InChIInChI=1S/C16H22N6O2Si/c1-25(2,3)7-6-24-10-22-5-4-11-13(18-9-19-16(11)22)12-8-20-21-14(12)15(17)23/h4-5,8-9H,6-7,10H2,1-3H3,(H2,17,23)(H,20,21)
InChIKeyLALHMORMLSXKOE-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.23
Rot. Bonds7

About 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide

4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 141450642) has the molecular formula C16H22N6O2Si and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID141450642
Molecular FormulaC16H22N6O2Si
Molecular Weight358.48 g/mol
Exact Mass358.16
IUPAC Name4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3C(N)=O)ncnc21
InChIInChI=1S/C16H22N6O2Si/c1-25(2,3)7-6-24-10-22-5-4-11-13(18-9-19-16(11)22)12-8-20-21-14(12)15(17)23/h4-5,8-9H,6-7,10H2,1-3H3,(H2,17,23)(H,20,21)
InChIKeyLALHMORMLSXKOE-UHFFFAOYSA-N
XLogP2.23
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxylate
CID 141450606
4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine
CID 141450640
4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrole-3-carbonitrile
CID 140923797
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387
ethyl 1-[(4-methoxyphenyl)methyl]-4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazole-5-carboxylate
CID 141450621
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
trimethyl-[2-[[4-(5-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 140923764
ethyl 2-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]butanoate
CID 58180959
trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 141424330
1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one
CID 71258460
3-(fluoromethyl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidine-1-carboxylic acid
CID 66824273

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide (CID 141450642) is 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide is C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3C(N)=O)ncnc21.
What is the InChIKey of 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is LALHMORMLSXKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2Si/c1-25(2,3)7-6-24-10-22-5-4-11-13(18-9-19-16(11)22)12-8-20-21-14(12)15(17)23/h4-5,8-9H,6-7,10H2,1-3H3,(H2,17,23)(H,20,21).
What are the key properties of 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide?
4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141450642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).