[6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine

C27H33N5OSi — CID 140775638

IUPAC[6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cccc(C4(CN)Cc5ccncc5C4)c3)ncnc21
InChIInChI=1S/C27H33N5OSi/c1-34(2,3)12-11-33-19-32-10-8-24-25(30-18-31-26(24)32)20-5-4-6-23(13-20)27(17-28)14-21-7-9-29-16-22(21)15-27/h4-10,13,16,18H,11-12,14-15,17,19,28H2,1-3H3
InChIKeyAXXVLFWAWPWGEL-UHFFFAOYSA-N
MW471.68 g/mol
LogP4.80
Rot. Bonds8

About [6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine

[6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine (PubChem CID 140775638) has the molecular formula C27H33N5OSi and a molecular weight of 471.68 g/mol. Its IUPAC name is [6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine
PubChem CID140775638
Molecular FormulaC27H33N5OSi
Molecular Weight471.68 g/mol
Exact Mass471.25
IUPAC Name[6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cccc(C4(CN)Cc5ccncc5C4)c3)ncnc21
InChIInChI=1S/C27H33N5OSi/c1-34(2,3)12-11-33-19-32-10-8-24-25(30-18-31-26(24)32)20-5-4-6-23(13-20)27(17-28)14-21-7-9-29-16-22(21)15-27/h4-10,13,16,18H,11-12,14-15,17,19,28H2,1-3H3
InChIKeyAXXVLFWAWPWGEL-UHFFFAOYSA-N
XLogP4.80
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.68
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of [6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine?
The IUPAC name of [6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine (CID 140775638) is [6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine.
What is the SMILES notation for [6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine?
The canonical SMILES for [6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine is C[Si](C)(C)CCOCn1ccc2c(-c3cccc(C4(CN)Cc5ccncc5C4)c3)ncnc21.
What is the InChIKey of [6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine?
The InChIKey is AXXVLFWAWPWGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5OSi/c1-34(2,3)12-11-33-19-32-10-8-24-25(30-18-31-26(24)32)20-5-4-6-23(13-20)27(17-28)14-21-7-9-29-16-22(21)15-27/h4-10,13,16,18H,11-12,14-15,17,19,28H2,1-3H3.
What are the key properties of [6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine?
[6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine has a molecular weight of 471.68 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[c]pyridin-6-yl]methanamine is sourced from PubChem (CID 140775638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).