5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol

C24H33FN2O2Si — CID 58086599

IUPAC5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol
SMILESCOc1cc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1O
InChIInChI=1S/C24H33FN2O2Si/c1-15(2)30(16(3)4,17(5)6)27-14-19(20-9-8-10-26-24(20)27)11-18-12-23(29-7)22(28)13-21(18)25/h8-10,12-17,28H,11H2,1-7H3
InChIKeyPUNLPNBCSFPUSO-UHFFFAOYSA-N
MW428.62 g/mol
LogP6.50
Rot. Bonds7

About 5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol

5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol (PubChem CID 58086599) has the molecular formula C24H33FN2O2Si and a molecular weight of 428.62 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol
PubChem CID58086599
Molecular FormulaC24H33FN2O2Si
Molecular Weight428.62 g/mol
Exact Mass428.23
IUPAC Name5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol
SMILESCOc1cc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1O
InChIInChI=1S/C24H33FN2O2Si/c1-15(2)30(16(3)4,17(5)6)27-14-19(20-9-8-10-26-24(20)27)11-18-12-23(29-7)22(28)13-21(18)25/h8-10,12-17,28H,11H2,1-7H3
InChIKeyPUNLPNBCSFPUSO-UHFFFAOYSA-N
XLogP6.50
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol?
The IUPAC name of 5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol (CID 58086599) is 5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol?
The canonical SMILES for 5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol is COc1cc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)c(F)cc1O.
What is the InChIKey of 5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol?
The InChIKey is PUNLPNBCSFPUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O2Si/c1-15(2)30(16(3)4,17(5)6)27-14-19(20-9-8-10-26-24(20)27)11-18-12-23(29-7)22(28)13-21(18)25/h8-10,12-17,28H,11H2,1-7H3.
What are the key properties of 5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol?
5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol has a molecular weight of 428.62 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol is sourced from PubChem (CID 58086599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).