4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile

C33H38N4O3Si — CID 159159093

IUPAC4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)n1cc(C(=O)c2cc(CC(=O)Cc3ccc(C#N)cc3)ccn2)c2cnccc21
InChIInChI=1S/C33H38N4O3Si/c1-32(2,3)41(6,7)40-22-33(4,5)37-21-28(27-20-35-14-13-30(27)37)31(39)29-18-25(12-15-36-29)17-26(38)16-23-8-10-24(19-34)11-9-23/h8-15,18,20-21H,16-17,22H2,1-7H3
InChIKeyKKGQJAJSEDPPAZ-UHFFFAOYSA-N
MW566.78 g/mol
LogP6.65
Rot. Bonds10

About 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile

4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile (PubChem CID 159159093) has the molecular formula C33H38N4O3Si and a molecular weight of 566.78 g/mol. Its IUPAC name is 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile
PubChem CID159159093
Molecular FormulaC33H38N4O3Si
Molecular Weight566.78 g/mol
Exact Mass566.27
IUPAC Name4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)n1cc(C(=O)c2cc(CC(=O)Cc3ccc(C#N)cc3)ccn2)c2cnccc21
InChIInChI=1S/C33H38N4O3Si/c1-32(2,3)41(6,7)40-22-33(4,5)37-21-28(27-20-35-14-13-30(27)37)31(39)29-18-25(12-15-36-29)17-26(38)16-23-8-10-24(19-34)11-9-23/h8-15,18,20-21H,16-17,22H2,1-7H3
InChIKeyKKGQJAJSEDPPAZ-UHFFFAOYSA-N
XLogP6.65
TPSA97.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.78
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile with MolForge

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Related Compounds

(4-amino-2-pyridinyl)-[1-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrrolo[3,2-c]pyridin-3-yl]methanone
CID 90092938
2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
CID 118341228
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 66612711
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile
CID 45123455
3-[3-[4-(2-methyl-4-pyridinyl)phenyl]-2-oxopropyl]benzonitrile
CID 58267146
N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 118341240
4-[(3-formyl-4-pyridinyl)methyl]benzonitrile
CID 12017383
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyridine-3-carbonitrile
CID 174070466
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile?
The IUPAC name of 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile (CID 159159093) is 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile.
What is the SMILES notation for 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile?
The canonical SMILES for 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile is CC(C)(CO[Si](C)(C)C(C)(C)C)n1cc(C(=O)c2cc(CC(=O)Cc3ccc(C#N)cc3)ccn2)c2cnccc21.
What is the InChIKey of 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile?
The InChIKey is KKGQJAJSEDPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O3Si/c1-32(2,3)41(6,7)40-22-33(4,5)37-21-28(27-20-35-14-13-30(27)37)31(39)29-18-25(12-15-36-29)17-26(38)16-23-8-10-24(19-34)11-9-23/h8-15,18,20-21H,16-17,22H2,1-7H3.
What are the key properties of 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile?
4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile has a molecular weight of 566.78 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[1-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[3,2-c]pyridine-3-carbonyl]-4-pyridinyl]-2-oxopropyl]benzonitrile is sourced from PubChem (CID 159159093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).