[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone

C44H60N6O2Si2 — CID 161007910

IUPAC[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc1.CN(C)c1ccc(C(O)c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc1
InChIInChI=1S/C22H31N3OSi.C22H29N3OSi/c2*1-22(2,3)27(6,7)25-13-12-17-14-18(15-23-21(17)25)20(26)16-8-10-19(11-9-16)24(4)5/h8-15,20,26H,1-7H3;8-15H,1-7H3
InChIKeyTWTBWHBTZZBPEI-UHFFFAOYSA-N
MW761.18 g/mol
LogP10.22
Rot. Bonds8

About [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone

[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone (PubChem CID 161007910) has the molecular formula C44H60N6O2Si2 and a molecular weight of 761.18 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone
PubChem CID161007910
Molecular FormulaC44H60N6O2Si2
Molecular Weight761.18 g/mol
Exact Mass760.43
IUPAC Name[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc1.CN(C)c1ccc(C(O)c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc1
InChIInChI=1S/C22H31N3OSi.C22H29N3OSi/c2*1-22(2,3)27(6,7)25-13-12-17-14-18(15-23-21(17)25)20(26)16-8-10-19(11-9-16)24(4)5/h8-15,20,26H,1-7H3;8-15H,1-7H3
InChIKeyTWTBWHBTZZBPEI-UHFFFAOYSA-N
XLogP10.22
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.18
LogP ≤ 510.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone with MolForge

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Related Compounds

(4-Fluoropiperidin-1-yl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 156810974
(4-Fluoropiperidin-1-yl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 156811016
[1-[4-(Hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811104
[1-[4-(2-Hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811228
CID 161100725
CID 161100725
(4-Fluorocycloheptyl)-[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 163261125
(4-Fluorocyclooctyl)-[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167015753
1-(tert-butyldimethylsilyl)-5-(4-(dimethylamino)phenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 57681142
4-[3-Benzhydryl-5-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]benzoic acid
CID 132108117
4-[5-(3,5-Dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-1-yl]benzoic acid
CID 132108194
6-[3-Benzhydryl-5-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid
CID 132108205
2-[5-[3-[4-(dimethylamino)but-3-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
CID 142703252

Frequently Asked Questions

What is the IUPAC name of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone (CID 161007910) is [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc1.CN(C)c1ccc(C(O)c2cnc3c(ccn3[Si](C)(C)C(C)(C)C)c2)cc1.
What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone?
The InChIKey is TWTBWHBTZZBPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OSi.C22H29N3OSi/c2*1-22(2,3)27(6,7)25-13-12-17-14-18(15-23-21(17)25)20(26)16-8-10-19(11-9-16)24(4)5/h8-15,20,26H,1-7H3;8-15H,1-7H3.
What are the key properties of [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone?
[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone has a molecular weight of 761.18 g/mol, XLogP of 10.22, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanol;[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 161007910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).