1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one

C20H24N2O2Si — CID 23299590

IUPAC1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one
SMILESCn1cc(C(=O)CC(O[Si](C)(C)C)c2ccncc2)c2ccccc21
InChIInChI=1S/C20H24N2O2Si/c1-22-14-17(16-7-5-6-8-18(16)22)19(23)13-20(24-25(2,3)4)15-9-11-21-12-10-15/h5-12,14,20H,13H2,1-4H3
InChIKeyNEOFSUVXBHHLOX-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.74
Rot. Bonds6

About 1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one

1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one (PubChem CID 23299590) has the molecular formula C20H24N2O2Si and a molecular weight of 352.51 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one
PubChem CID23299590
Molecular FormulaC20H24N2O2Si
Molecular Weight352.51 g/mol
Exact Mass352.16
IUPAC Name1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one
SMILESCn1cc(C(=O)CC(O[Si](C)(C)C)c2ccncc2)c2ccccc21
InChIInChI=1S/C20H24N2O2Si/c1-22-14-17(16-7-5-6-8-18(16)22)19(23)13-20(24-25(2,3)4)15-9-11-21-12-10-15/h5-12,14,20H,13H2,1-4H3
InChIKeyNEOFSUVXBHHLOX-UHFFFAOYSA-N
XLogP4.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
CID 86729069
2-(1-methylimidazol-2-yl)sulfanyl-1-(1-methylindol-3-yl)ethanone
CID 110656771
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
4,4,4-trifluoro-1-(1-methylindol-3-yl)-3-(pyrazin-2-ylamino)butan-1-one
CID 162535710
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110655363
1-methylindole-3-carbothioic S-acid
CID 116918837
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586
chloro 1-methylindole-3-carboxylate
CID 69132264
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylindol-3-yl)ethanone
CID 110656761
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one?
The IUPAC name of 1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one (CID 23299590) is 1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one.
What is the SMILES notation for 1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one?
The canonical SMILES for 1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one is Cn1cc(C(=O)CC(O[Si](C)(C)C)c2ccncc2)c2ccccc21.
What is the InChIKey of 1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one?
The InChIKey is NEOFSUVXBHHLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2Si/c1-22-14-17(16-7-5-6-8-18(16)22)19(23)13-20(24-25(2,3)4)15-9-11-21-12-10-15/h5-12,14,20H,13H2,1-4H3.
What are the key properties of 1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one?
1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one has a molecular weight of 352.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-3-pyridin-4-yl-3-trimethylsilyloxypropan-1-one is sourced from PubChem (CID 23299590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).