[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol

C33H42FN5OSi — CID 58485841

IUPAC[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(Cc3ccc(C4CC4)nc3)nc2F)c2c(C3CC3)ncnc21
InChIInChI=1S/C33H42FN5OSi/c1-19(2)41(20(3)4,21(5)6)39-17-27(29-30(24-10-11-24)36-18-37-33(29)39)31(40)26-13-12-25(38-32(26)34)15-22-7-14-28(35-16-22)23-8-9-23/h7,12-14,16-21,23-24,31,40H,8-11,15H2,1-6H3
InChIKeyQMDBHMOTUDNOPO-UHFFFAOYSA-N
MW571.82 g/mol
LogP7.81
Rot. Bonds10

About [6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol

[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol (PubChem CID 58485841) has the molecular formula C33H42FN5OSi and a molecular weight of 571.82 g/mol. Its IUPAC name is [6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
PubChem CID58485841
Molecular FormulaC33H42FN5OSi
Molecular Weight571.82 g/mol
Exact Mass571.31
IUPAC Name[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(Cc3ccc(C4CC4)nc3)nc2F)c2c(C3CC3)ncnc21
InChIInChI=1S/C33H42FN5OSi/c1-19(2)41(20(3)4,21(5)6)39-17-27(29-30(24-10-11-24)36-18-37-33(29)39)31(40)26-13-12-25(38-32(26)34)15-22-7-14-28(35-16-22)23-8-9-23/h7,12-14,16-21,23-24,31,40H,8-11,15H2,1-6H3
InChIKeyQMDBHMOTUDNOPO-UHFFFAOYSA-N
XLogP7.81
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.82
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The IUPAC name of [6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol (CID 58485841) is [6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol.
What is the SMILES notation for [6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The canonical SMILES for [6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol is CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(Cc3ccc(C4CC4)nc3)nc2F)c2c(C3CC3)ncnc21.
What is the InChIKey of [6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The InChIKey is QMDBHMOTUDNOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42FN5OSi/c1-19(2)41(20(3)4,21(5)6)39-17-27(29-30(24-10-11-24)36-18-37-33(29)39)31(40)26-13-12-25(38-32(26)34)15-22-7-14-28(35-16-22)23-8-9-23/h7,12-14,16-21,23-24,31,40H,8-11,15H2,1-6H3.
What are the key properties of [6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol?
[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol has a molecular weight of 571.82 g/mol, XLogP of 7.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-cyclopropyl-7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methanol is sourced from PubChem (CID 58485841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).