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

C22H30FN3Si — CID 140960176

IUPAC[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCc1cc(-c2c(F)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)ccn1
InChIInChI=1S/C22H30FN3Si/c1-14(2)27(15(3)4,16(5)6)26-11-9-19-21(20(23)13-25-22(19)26)18-8-10-24-17(7)12-18/h8-16H,1-7H3
InChIKeyMWRDCNFYXAILCO-UHFFFAOYSA-N
MW383.59 g/mol
LogP6.57
Rot. Bonds5

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

[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (PubChem CID 140960176) has the molecular formula C22H30FN3Si and a molecular weight of 383.59 g/mol. Its IUPAC name is [5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
PubChem CID140960176
Molecular FormulaC22H30FN3Si
Molecular Weight383.59 g/mol
Exact Mass383.22
IUPAC Name[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
SMILESCc1cc(-c2c(F)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)ccn1
InChIInChI=1S/C22H30FN3Si/c1-14(2)27(15(3)4,16(5)6)26-11-9-19-21(20(23)13-25-22(19)26)18-8-10-24-17(7)12-18/h8-16H,1-7H3
InChIKeyMWRDCNFYXAILCO-UHFFFAOYSA-N
XLogP6.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.59
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane (CID 140960176) is [5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is Cc1cc(-c2c(F)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)ccn1.
What is the InChIKey of [5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
The InChIKey is MWRDCNFYXAILCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3Si/c1-14(2)27(15(3)4,16(5)6)26-11-9-19-21(20(23)13-25-22(19)26)18-8-10-24-17(7)12-18/h8-16H,1-7H3.
What are the key properties of [5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane?
[5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane has a molecular weight of 383.59 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 140960176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).