methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate

C26H36N2O2Si — CID 142724439

IUPACmethyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cc1ccc(C)cc1
InChIInChI=1S/C26H36N2O2Si/c1-17(2)31(18(3)4,19(5)6)28-14-13-22-23(15-21-11-9-20(7)10-12-21)24(26(29)30-8)16-27-25(22)28/h9-14,16-19H,15H2,1-8H3
InChIKeyRQXHGRYPNRRFKN-UHFFFAOYSA-N
MW436.67 g/mol
LogP6.75
Rot. Bonds7

About methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate

methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 142724439) has the molecular formula C26H36N2O2Si and a molecular weight of 436.67 g/mol. Its IUPAC name is methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID142724439
Molecular FormulaC26H36N2O2Si
Molecular Weight436.67 g/mol
Exact Mass436.25
IUPAC Namemethyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cc1ccc(C)cc1
InChIInChI=1S/C26H36N2O2Si/c1-17(2)31(18(3)4,19(5)6)28-14-13-22-23(15-21-11-9-20(7)10-12-21)24(26(29)30-8)16-27-25(22)28/h9-14,16-19H,15H2,1-8H3
InChIKeyRQXHGRYPNRRFKN-UHFFFAOYSA-N
XLogP6.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate (CID 142724439) is methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate is COC(=O)c1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cc1ccc(C)cc1.
What is the InChIKey of methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is RQXHGRYPNRRFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2Si/c1-17(2)31(18(3)4,19(5)6)28-14-13-22-23(15-21-11-9-20(7)10-12-21)24(26(29)30-8)16-27-25(22)28/h9-14,16-19H,15H2,1-8H3.
What are the key properties of methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate?
methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 436.67 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methylphenyl)methyl]-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 142724439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).