2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid

C25H41N3O3Si — CID 154168035

IUPAC2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid
SMILESCCCC1(C(O)c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)CCCN1C(=O)O
InChIInChI=1S/C25H41N3O3Si/c1-8-11-25(12-9-13-27(25)24(30)31)22(29)21-15-20-10-14-28(23(20)26-16-21)32(17(2)3,18(4)5)19(6)7/h10,14-19,22,29H,8-9,11-13H2,1-7H3,(H,30,31)
InChIKeyPYADSTDBHVZVPR-UHFFFAOYSA-N
MW459.71 g/mol
LogP6.41
Rot. Bonds8

About 2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid

2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid (PubChem CID 154168035) has the molecular formula C25H41N3O3Si and a molecular weight of 459.71 g/mol. Its IUPAC name is 2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid
PubChem CID154168035
Molecular FormulaC25H41N3O3Si
Molecular Weight459.71 g/mol
Exact Mass459.29
IUPAC Name2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid
SMILESCCCC1(C(O)c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)CCCN1C(=O)O
InChIInChI=1S/C25H41N3O3Si/c1-8-11-25(12-9-13-27(25)24(30)31)22(29)21-15-20-10-14-28(23(20)26-16-21)32(17(2)3,18(4)5)19(6)7/h10,14-19,22,29H,8-9,11-13H2,1-7H3,(H,30,31)
InChIKeyPYADSTDBHVZVPR-UHFFFAOYSA-N
XLogP6.41
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.71
LogP ≤ 56.41
H-Bond Donors ≤ 52
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 2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid (CID 154168035) is 2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid is CCCC1(C(O)c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)CCCN1C(=O)O.
What is the InChIKey of 2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid?
The InChIKey is PYADSTDBHVZVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O3Si/c1-8-11-25(12-9-13-27(25)24(30)31)22(29)21-15-20-10-14-28(23(20)26-16-21)32(17(2)3,18(4)5)19(6)7/h10,14-19,22,29H,8-9,11-13H2,1-7H3,(H,30,31).
What are the key properties of 2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid?
2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid has a molecular weight of 459.71 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-yl]methyl]-2-propylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154168035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).