2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile

C22H27N3OSi — CID 131729216

IUPAC2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile
SMILESCn1c(-c2cnccc2C(C)(C)O[SiH2]C(C)(C)C)c(C#N)c2ccccc21
InChIInChI=1S/C22H27N3OSi/c1-21(2,3)27-26-22(4,5)18-11-12-24-14-17(18)20-16(13-23)15-9-7-8-10-19(15)25(20)6/h7-12,14H,27H2,1-6H3
InChIKeyVGTKCKUQMIQTEV-UHFFFAOYSA-N
MW377.56 g/mol
LogP4.67
Rot. Bonds4

About 2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile

2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile (PubChem CID 131729216) has the molecular formula C22H27N3OSi and a molecular weight of 377.56 g/mol. Its IUPAC name is 2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile
PubChem CID131729216
Molecular FormulaC22H27N3OSi
Molecular Weight377.56 g/mol
Exact Mass377.19
IUPAC Name2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile
SMILESCn1c(-c2cnccc2C(C)(C)O[SiH2]C(C)(C)C)c(C#N)c2ccccc21
InChIInChI=1S/C22H27N3OSi/c1-21(2,3)27-26-22(4,5)18-11-12-24-14-17(18)20-16(13-23)15-9-7-8-10-19(15)25(20)6/h7-12,14H,27H2,1-6H3
InChIKeyVGTKCKUQMIQTEV-UHFFFAOYSA-N
XLogP4.67
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.67
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 2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile?
The IUPAC name of 2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile (CID 131729216) is 2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile?
The canonical SMILES for 2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile is Cn1c(-c2cnccc2C(C)(C)O[SiH2]C(C)(C)C)c(C#N)c2ccccc21.
What is the InChIKey of 2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile?
The InChIKey is VGTKCKUQMIQTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OSi/c1-21(2,3)27-26-22(4,5)18-11-12-24-14-17(18)20-16(13-23)15-9-7-8-10-19(15)25(20)6/h7-12,14H,27H2,1-6H3.
What are the key properties of 2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile?
2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile has a molecular weight of 377.56 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-tert-butylsilyloxypropan-2-yl)-3-pyridinyl]-1-methylindole-3-carbonitrile is sourced from PubChem (CID 131729216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).