[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol

C19H28N6O2Si — CID 164739912

IUPAC[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESC[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(CO)c4C3)ncnc21
InChIInChI=1S/C19H28N6O2Si/c1-28(2,3)9-8-27-13-25-6-4-14-18(20-12-21-19(14)25)24-7-5-16-15(10-24)17(11-26)23-22-16/h4,6,12,26H,5,7-11,13H2,1-3H3,(H,22,23)
InChIKeyVIXMZKHNIMKAGG-UHFFFAOYSA-N
MW400.56 g/mol
LogP2.52
Rot. Bonds7

About [5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol

[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 164739912) has the molecular formula C19H28N6O2Si and a molecular weight of 400.56 g/mol. Its IUPAC name is [5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID164739912
Molecular FormulaC19H28N6O2Si
Molecular Weight400.56 g/mol
Exact Mass400.20
IUPAC Name[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESC[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(CO)c4C3)ncnc21
InChIInChI=1S/C19H28N6O2Si/c1-28(2,3)9-8-27-13-25-6-4-14-18(20-12-21-19(14)25)24-7-5-16-15(10-24)17(11-26)23-22-16/h4,6,12,26H,5,7-11,13H2,1-3H3,(H,22,23)
InChIKeyVIXMZKHNIMKAGG-UHFFFAOYSA-N
XLogP2.52
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 52.52
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of [5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol (CID 164739912) is [5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol is C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(CO)c4C3)ncnc21.
What is the InChIKey of [5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is VIXMZKHNIMKAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2Si/c1-28(2,3)9-8-27-13-25-6-4-14-18(20-12-21-19(14)25)24-7-5-16-15(10-24)17(11-26)23-22-16/h4,6,12,26H,5,7-11,13H2,1-3H3,(H,22,23).
What are the key properties of [5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol?
[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 400.56 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 164739912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).