methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate

C24H30ClF2N3O2Si — CID 90418343

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c2F)c(F)c(N)c1Cl
InChIInChI=1S/C24H30ClF2N3O2Si/c1-12(2)33(13(3)4,14(5)6)30-11-10-15-8-9-16(18(26)23(15)30)21-19(27)20(28)17(25)22(29-21)24(31)32-7/h8-14H,1-7H3,(H2,28,29)
InChIKeyDZJACEPTKAWMLZ-UHFFFAOYSA-N
MW494.06 g/mol
LogP7.03
Rot. Bonds6

About methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate

methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate (PubChem CID 90418343) 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-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate
PubChem CID90418343
Molecular FormulaC24H30ClF2N3O2Si
Molecular Weight494.06 g/mol
Exact Mass493.18
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c2F)c(F)c(N)c1Cl
InChIInChI=1S/C24H30ClF2N3O2Si/c1-12(2)33(13(3)4,14(5)6)30-11-10-15-8-9-16(18(26)23(15)30)21-19(27)20(28)17(25)22(29-21)24(31)32-7/h8-14H,1-7H3,(H2,28,29)
InChIKeyDZJACEPTKAWMLZ-UHFFFAOYSA-N
XLogP7.03
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate (CID 90418343) is methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3ccn([Si](C(C)C)(C(C)C)C(C)C)c3c2F)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate?
The InChIKey is DZJACEPTKAWMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClF2N3O2Si/c1-12(2)33(13(3)4,14(5)6)30-11-10-15-8-9-16(18(26)23(15)30)21-19(27)20(28)17(25)22(29-21)24(31)32-7/h8-14H,1-7H3,(H2,28,29).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate has a molecular weight of 494.06 g/mol, XLogP of 7.03, 6 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-tri(propan-2-yl)silylindol-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 90418343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).