2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

C21H28ClN5O2Si — CID 175867784

IUPAC2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2cccc(Cl)c2)c2c(N3CCOCC3)ncnc21
InChIInChI=1S/C21H28ClN5O2Si/c1-30(2,3)12-11-29-15-27-21-18(19(25-27)16-5-4-6-17(22)13-16)20(23-14-24-21)26-7-9-28-10-8-26/h4-6,13-14H,7-12,15H2,1-3H3
InChIKeyDYXRNCLXOOEYOY-UHFFFAOYSA-N
MW446.03 g/mol
LogP4.30
Rot. Bonds7

About 2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 175867784) has the molecular formula C21H28ClN5O2Si and a molecular weight of 446.03 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID175867784
Molecular FormulaC21H28ClN5O2Si
Molecular Weight446.03 g/mol
Exact Mass445.17
IUPAC Name2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2cccc(Cl)c2)c2c(N3CCOCC3)ncnc21
InChIInChI=1S/C21H28ClN5O2Si/c1-30(2,3)12-11-29-15-27-21-18(19(25-27)16-5-4-6-17(22)13-16)20(23-14-24-21)26-7-9-28-10-8-26/h4-6,13-14H,7-12,15H2,1-3H3
InChIKeyDYXRNCLXOOEYOY-UHFFFAOYSA-N
XLogP4.30
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.03
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 166626749
6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine
CID 164539155
5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 123685712
3-(3-cyanophenyl)-4-morpholin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 123276182
2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123351166
3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58395989
5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one
CID 90391087
4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-N-[(1R)-2,2,2-trifluoro-1-piperidin-4-ylethyl]aniline
CID 172623752
4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)aniline
CID 172623522
5-[[5-(3-chlorophenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylpentanamide
CID 175867753
2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 171933248
N-[2-fluoro-4-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-3-yl)phenyl]-2-methylpropanamide
CID 71004349

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (CID 175867784) is 2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2cccc(Cl)c2)c2c(N3CCOCC3)ncnc21.
What is the InChIKey of 2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is DYXRNCLXOOEYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O2Si/c1-30(2,3)12-11-29-15-27-21-18(19(25-27)16-5-4-6-17(22)13-16)20(23-14-24-21)26-7-9-28-10-8-26/h4-6,13-14H,7-12,15H2,1-3H3.
What are the key properties of 2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 446.03 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175867784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).