trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride

C22H35ClN4O2Si — CID 177242980

IUPACtrimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride
SMILESC[Si](C)(C)CCOCn1cc(C2CCOCC2)c2c(C3=CCNCC3)ncnc21.Cl
InChIInChI=1S/C22H34N4O2Si.ClH/c1-29(2,3)13-12-28-16-26-14-19(17-6-10-27-11-7-17)20-21(24-15-25-22(20)26)18-4-8-23-9-5-18;/h4,14-15,17,23H,5-13,16H2,1-3H3;1H
InChIKeyNFRDZVRGFZZVPF-UHFFFAOYSA-N
MW451.09 g/mol
LogP4.44
Rot. Bonds7

About trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride

trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride (PubChem CID 177242980) has the molecular formula C22H35ClN4O2Si and a molecular weight of 451.09 g/mol. Its IUPAC name is trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride.

Molecular Properties

Compound Nametrimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride
PubChem CID177242980
Molecular FormulaC22H35ClN4O2Si
Molecular Weight451.09 g/mol
Exact Mass450.22
IUPAC Nametrimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride
SMILESC[Si](C)(C)CCOCn1cc(C2CCOCC2)c2c(C3=CCNCC3)ncnc21.Cl
InChIInChI=1S/C22H34N4O2Si.ClH/c1-29(2,3)13-12-28-16-26-14-19(17-6-10-27-11-7-17)20-21(24-15-25-22(20)26)18-4-8-23-9-5-18;/h4,14-15,17,23H,5-13,16H2,1-3H3;1H
InChIKeyNFRDZVRGFZZVPF-UHFFFAOYSA-N
XLogP4.44
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.09
LogP ≤ 54.44
H-Bond Donors ≤ 51
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

tert-butyl 3-[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxylate
CID 177242977
tert-butyl 4-[4-amino-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]piperidine-1-carboxylate
CID 170747040
tert-butyl 3-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 170746704
1-[(4R)-3,3-dimethyl-4-[[3-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 177243222
4-tert-butyl-N-[[4-[5-(1-prop-1-enylpiperidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]benzamide
CID 175963086
4-tert-butyl-N-[[4-[5-(1-prop-2-enoylpiperidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]benzamide
CID 170561376
tert-butyl (3S,5R)-3-methyl-5-[[3-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate
CID 177243076
[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanone
CID 153450189
tert-butyl (2R,3R)-3-[5-cyano-3-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate
CID 177243048
4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 152679074
trimethyl-[2-[[4-(oxolan-3-yloxy)-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 146169583
tert-butyl (4R)-4-[[5-cyano-3-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-3,3-dimethylpyrrolidine-1-carboxylate
CID 177243059

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride?
The IUPAC name of trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride (CID 177242980) is trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride.
What is the SMILES notation for trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride?
The canonical SMILES for trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride is C[Si](C)(C)CCOCn1cc(C2CCOCC2)c2c(C3=CCNCC3)ncnc21.Cl.
What is the InChIKey of trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride?
The InChIKey is NFRDZVRGFZZVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2Si.ClH/c1-29(2,3)13-12-28-16-26-14-19(17-6-10-27-11-7-17)20-21(24-15-25-22(20)26)18-4-8-23-9-5-18;/h4,14-15,17,23H,5-13,16H2,1-3H3;1H.
What are the key properties of trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride?
trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride has a molecular weight of 451.09 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride is sourced from PubChem (CID 177242980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).