6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

C28H32F2N4OSi — CID 141263528

IUPAC6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cc(-c3cccnc3)c(-c3c(F)ccc(N)c3F)nc21
InChIInChI=1S/C28H32F2N4OSi/c1-16(2)36(17(3)4,18(5)6)34-14-20(15-35)22-12-21(19-8-7-11-32-13-19)27(33-28(22)34)25-23(29)9-10-24(31)26(25)30/h7-18H,31H2,1-6H3
InChIKeyYVKCVKGIANLDKW-UHFFFAOYSA-N
MW506.67 g/mol
LogP7.46
Rot. Bonds7

About 6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde

6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 141263528) has the molecular formula C28H32F2N4OSi and a molecular weight of 506.67 g/mol. Its IUPAC name is 6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID141263528
Molecular FormulaC28H32F2N4OSi
Molecular Weight506.67 g/mol
Exact Mass506.23
IUPAC Name6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cc(-c3cccnc3)c(-c3c(F)ccc(N)c3F)nc21
InChIInChI=1S/C28H32F2N4OSi/c1-16(2)36(17(3)4,18(5)6)34-14-20(15-35)22-12-21(19-8-7-11-32-13-19)27(33-28(22)34)25-23(29)9-10-24(31)26(25)30/h7-18H,31H2,1-6H3
InChIKeyYVKCVKGIANLDKW-UHFFFAOYSA-N
XLogP7.46
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 141263528) is 6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is CC(C)[Si](C(C)C)(C(C)C)n1cc(C=O)c2cc(-c3cccnc3)c(-c3c(F)ccc(N)c3F)nc21.
What is the InChIKey of 6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is YVKCVKGIANLDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N4OSi/c1-16(2)36(17(3)4,18(5)6)34-14-20(15-35)22-12-21(19-8-7-11-32-13-19)27(33-28(22)34)25-23(29)9-10-24(31)26(25)30/h7-18H,31H2,1-6H3.
What are the key properties of 6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 506.67 g/mol, XLogP of 7.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 141263528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).