tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate

C22H34N4O4Si — CID 176892917

IUPACtert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2c(ccn2COCC[Si](C)(C)C)cc1C(=O)NC1CC1
InChIInChI=1S/C22H34N4O4Si/c1-22(2,3)30-21(28)25-18-17(20(27)23-16-7-8-16)13-15-9-10-26(19(15)24-18)14-29-11-12-31(4,5)6/h9-10,13,16H,7-8,11-12,14H2,1-6H3,(H,23,27)(H,24,25,28)
InChIKeyUZSWPQSHSOQUHM-UHFFFAOYSA-N
MW446.62 g/mol
LogP4.59
Rot. Bonds8

About tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate

tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate (PubChem CID 176892917) has the molecular formula C22H34N4O4Si and a molecular weight of 446.62 g/mol. Its IUPAC name is tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate
PubChem CID176892917
Molecular FormulaC22H34N4O4Si
Molecular Weight446.62 g/mol
Exact Mass446.23
IUPAC Nametert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2c(ccn2COCC[Si](C)(C)C)cc1C(=O)NC1CC1
InChIInChI=1S/C22H34N4O4Si/c1-22(2,3)30-21(28)25-18-17(20(27)23-16-7-8-16)13-15-9-10-26(19(15)24-18)14-29-11-12-31(4,5)6/h9-10,13,16H,7-8,11-12,14H2,1-6H3,(H,23,27)(H,24,25,28)
InChIKeyUZSWPQSHSOQUHM-UHFFFAOYSA-N
XLogP4.59
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamoylamino]azepane-1-carboxylate
CID 67385442
tert-butyl 4-[2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]ethyl]piperidine-1-carboxylate
CID 153397556
tert-butyl N-[4-[2-(2-trimethylsilylethoxymethoxy)anilino]cyclohexyl]carbamate
CID 164539784
tert-butyl 4-methyl-5-[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamoylamino]azepane-1-carboxylate
CID 67386251
tert-butyl N-[3-[[2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]cyclobutyl]carbamate
CID 71279534
tert-butyl N-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]methyl]carbamate
CID 159521192
tert-butyl (3R,4R)-4-methyl-3-[10-(2-trimethylsilylethoxymethyl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidine-1-carboxylate
CID 58078504
tert-butyl 3-[[5-formyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate
CID 58078671
tert-butyl 3-[[[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]carbamoylamino]methyl]piperidine-1-carboxylate
CID 67385024
N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122976
tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate
CID 152533189
1-[(1R,3R)-3-aminocyclopentyl]-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67431269

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate (CID 176892917) is tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate is CC(C)(C)OC(=O)Nc1nc2c(ccn2COCC[Si](C)(C)C)cc1C(=O)NC1CC1.
What is the InChIKey of tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate?
The InChIKey is UZSWPQSHSOQUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4Si/c1-22(2,3)30-21(28)25-18-17(20(27)23-16-7-8-16)13-15-9-10-26(19(15)24-18)14-29-11-12-31(4,5)6/h9-10,13,16H,7-8,11-12,14H2,1-6H3,(H,23,27)(H,24,25,28).
What are the key properties of tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate?
tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate has a molecular weight of 446.62 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate is sourced from PubChem (CID 176892917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).