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

C28H32F2N4OSi — CID 59506753

IUPAC(3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(=O)c2c(F)ccc(N)c2F)c2cc(-c3cccnc3)cnc21
InChIInChI=1S/C28H32F2N4OSi/c1-16(2)36(17(3)4,18(5)6)34-15-22(27(35)25-23(29)9-10-24(31)26(25)30)21-12-20(14-33-28(21)34)19-8-7-11-32-13-19/h7-18H,31H2,1-6H3
InChIKeyJAXDMKDXWOAMFB-UHFFFAOYSA-N
MW506.67 g/mol
LogP7.21
Rot. Bonds7

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

(3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 59506753) has the molecular formula C28H32F2N4OSi and a molecular weight of 506.67 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone
PubChem CID59506753
Molecular FormulaC28H32F2N4OSi
Molecular Weight506.67 g/mol
Exact Mass506.23
IUPAC Name(3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C(=O)c2c(F)ccc(N)c2F)c2cc(-c3cccnc3)cnc21
InChIInChI=1S/C28H32F2N4OSi/c1-16(2)36(17(3)4,18(5)6)34-15-22(27(35)25-23(29)9-10-24(31)26(25)30)21-12-20(14-33-28(21)34)19-8-7-11-32-13-19/h7-18H,31H2,1-6H3
InChIKeyJAXDMKDXWOAMFB-UHFFFAOYSA-N
XLogP7.21
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 ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone (CID 59506753) is (3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone is CC(C)[Si](C(C)C)(C(C)C)n1cc(C(=O)c2c(F)ccc(N)c2F)c2cc(-c3cccnc3)cnc21.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone?
The InChIKey is JAXDMKDXWOAMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N4OSi/c1-16(2)36(17(3)4,18(5)6)34-15-22(27(35)25-23(29)9-10-24(31)26(25)30)21-12-20(14-33-28(21)34)19-8-7-11-32-13-19/h7-18H,31H2,1-6H3.
What are the key properties of (3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone?
(3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 506.67 g/mol, XLogP of 7.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 59506753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).