[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

C20H29FN4Si — CID 70934743

IUPAC[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cnn(C)c3)cnc21
InChIInChI=1S/C20H29FN4Si/c1-13(2)26(14(3)4,15(5)6)25-9-8-17-19(21)18(11-22-20(17)25)16-10-23-24(7)12-16/h8-15H,1-7H3
InChIKeyBFXHUJMFJMLBCZ-UHFFFAOYSA-N
MW372.56 g/mol
LogP5.60
Rot. Bonds5

About [4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (PubChem CID 70934743) has the molecular formula C20H29FN4Si and a molecular weight of 372.56 g/mol. Its IUPAC name is [4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
PubChem CID70934743
Molecular FormulaC20H29FN4Si
Molecular Weight372.56 g/mol
Exact Mass372.21
IUPAC Name[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cnn(C)c3)cnc21
InChIInChI=1S/C20H29FN4Si/c1-13(2)26(14(3)4,15(5)6)25-9-8-17-19(21)18(11-22-20(17)25)16-10-23-24(7)12-16/h8-15H,1-7H3
InChIKeyBFXHUJMFJMLBCZ-UHFFFAOYSA-N
XLogP5.60
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 55.60
H-Bond Donors ≤ 50
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 [4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (CID 70934743) is [4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cnn(C)c3)cnc21.
What is the InChIKey of [4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The InChIKey is BFXHUJMFJMLBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4Si/c1-13(2)26(14(3)4,15(5)6)25-9-8-17-19(21)18(11-22-20(17)25)16-10-23-24(7)12-16/h8-15H,1-7H3.
What are the key properties of [4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
[4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane has a molecular weight of 372.56 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 70934743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).