5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide

C24H34ClN5O2Si — CID 175867753

IUPAC5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide
SMILESCC(CCC(N)=O)CNc1ncnc2c1c(-c1cccc(Cl)c1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C24H34ClN5O2Si/c1-17(8-9-21(26)31)13-27-23-22-20(18-6-5-7-19(25)12-18)14-30(24(22)29-15-28-23)16-32-10-11-33(2,3)4/h5-7,12,14-15,17H,8-11,13,16H2,1-4H3,(H2,26,31)(H,27,28,29)
InChIKeyMCXSXVBPRPDTJI-UHFFFAOYSA-N
MW488.11 g/mol
LogP5.38
Rot. Bonds12

About 5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide

5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide (PubChem CID 175867753) has the molecular formula C24H34ClN5O2Si and a molecular weight of 488.11 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide
PubChem CID175867753
Molecular FormulaC24H34ClN5O2Si
Molecular Weight488.11 g/mol
Exact Mass487.22
IUPAC Name5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide
SMILESCC(CCC(N)=O)CNc1ncnc2c1c(-c1cccc(Cl)c1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C24H34ClN5O2Si/c1-17(8-9-21(26)31)13-27-23-22-20(18-6-5-7-19(25)12-18)14-30(24(22)29-15-28-23)16-32-10-11-33(2,3)4/h5-7,12,14-15,17H,8-11,13,16H2,1-4H3,(H2,26,31)(H,27,28,29)
InChIKeyMCXSXVBPRPDTJI-UHFFFAOYSA-N
XLogP5.38
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.11
LogP ≤ 55.38
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'}

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Related Compounds

N-[1-[5-(3-Chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidinyl]acetamide
CID 162366980
3-[[5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-1-ol
CID 166634086
(2R,4R)-N-[(2S)-1-[(3-chloro-1-methylpyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 156458907
(2R,4S)-N-[(2S)-1-[(3-chloro-1-methylpyrrolo[2,3-b]pyridin-5-yl)methylamino]-1-oxopropan-2-yl]-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 156458963
1-[4-[[4-Amino-5-(3-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 162645102
N-[(3-Chlorophenyl)methyl]-2-{1-methyl-1H-pyrrolo[2,3-B]pyridin-3-YL}acetamide
CID 53144382
5-[4-chloro-3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N-methylpyridine-3-carboxamide
CID 57537557
4-chloro-3-(4-fluoro-phenyl)-5-tributylstannanyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrrolo[2,3-b]pyridine
CID 57537641
N-{4-[(3-Chloro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]-3-fluorophenyl}-2,2,2-trifluoroacetamide
CID 59305018
1-[[4-Chloro-3-(4-fluorophenyl)-5-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 142702740
2-[[5-Chloro-3-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 156845957
(2S,4R)-1-[2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 166517829

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide?
The IUPAC name of 5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide (CID 175867753) is 5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide.
What is the SMILES notation for 5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide?
The canonical SMILES for 5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide is CC(CCC(N)=O)CNc1ncnc2c1c(-c1cccc(Cl)c1)cn2COCC[Si](C)(C)C.
What is the InChIKey of 5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide?
The InChIKey is MCXSXVBPRPDTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN5O2Si/c1-17(8-9-21(26)31)13-27-23-22-20(18-6-5-7-19(25)12-18)14-30(24(22)29-15-28-23)16-32-10-11-33(2,3)4/h5-7,12,14-15,17H,8-11,13,16H2,1-4H3,(H2,26,31)(H,27,28,29).
What are the key properties of 5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide?
5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide has a molecular weight of 488.11 g/mol, XLogP of 5.38, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide is sourced from PubChem (CID 175867753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).