methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate

C24H30ClF2N3O2Si — CID 123440690

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate
SMILESCCC[Si](CCC)(CCC)n1ccc2ccc(-c3nc(C(=O)OC)c(Cl)c(N)c3F)c(F)c21
InChIInChI=1S/C24H30ClF2N3O2Si/c1-5-12-33(13-6-2,14-7-3)30-11-10-15-8-9-16(18(26)23(15)30)21-19(27)20(28)17(25)22(29-21)24(31)32-4/h8-11H,5-7,12-14H2,1-4H3,(H2,28,29)
InChIKeyKJDIMCQUDVBFMU-UHFFFAOYSA-N
MW494.06 g/mol
LogP7.03
Rot. Bonds9

About methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate (PubChem CID 123440690) has the molecular formula C24H30ClF2N3O2Si and a molecular weight of 494.06 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate
PubChem CID123440690
Molecular FormulaC24H30ClF2N3O2Si
Molecular Weight494.06 g/mol
Exact Mass493.18
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate
SMILESCCC[Si](CCC)(CCC)n1ccc2ccc(-c3nc(C(=O)OC)c(Cl)c(N)c3F)c(F)c21
InChIInChI=1S/C24H30ClF2N3O2Si/c1-5-12-33(13-6-2,14-7-3)30-11-10-15-8-9-16(18(26)23(15)30)21-19(27)20(28)17(25)22(29-21)24(31)32-4/h8-11H,5-7,12-14H2,1-4H3,(H2,28,29)
InChIKeyKJDIMCQUDVBFMU-UHFFFAOYSA-N
XLogP7.03
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.06
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate (CID 123440690) is methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate is CCC[Si](CCC)(CCC)n1ccc2ccc(-c3nc(C(=O)OC)c(Cl)c(N)c3F)c(F)c21.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate?
The InChIKey is KJDIMCQUDVBFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClF2N3O2Si/c1-5-12-33(13-6-2,14-7-3)30-11-10-15-8-9-16(18(26)23(15)30)21-19(27)20(28)17(25)22(29-21)24(31)32-4/h8-11H,5-7,12-14H2,1-4H3,(H2,28,29).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate has a molecular weight of 494.06 g/mol, XLogP of 7.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1-tripropylsilylindol-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 123440690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).