N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H26F3N5O2Si — CID 162048209

IUPACN-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2nccnc12)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C21H26F3N5O2Si/c1-14(17-11-15(5-6-25-17)21(22,23)24)28-20(30)16-12-29(13-31-9-10-32(2,3)4)19-18(16)26-7-8-27-19/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,28,30)/t14-/m1/s1
InChIKeyYYEPBJZMQSAIQR-CQSZACIVSA-N
MW465.55 g/mol
LogP4.65
Rot. Bonds8

About N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 162048209) has the molecular formula C21H26F3N5O2Si and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID162048209
Molecular FormulaC21H26F3N5O2Si
Molecular Weight465.55 g/mol
Exact Mass465.18
IUPAC NameN-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2nccnc12)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C21H26F3N5O2Si/c1-14(17-11-15(5-6-25-17)21(22,23)24)28-20(30)16-12-29(13-31-9-10-32(2,3)4)19-18(16)26-7-8-27-19/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,28,30)/t14-/m1/s1
InChIKeyYYEPBJZMQSAIQR-CQSZACIVSA-N
XLogP4.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 56834890
SIRT1 Activator 3
CID 1882365
N-{4-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-2-Yl}-N'-(2,4-Difluorophenyl)urea
CID 68904737
[3-(4-amino-6-methylimidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl]-[1-[[1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl]methyl]pyrrol-3-yl]methanone
CID 137349288
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 168277891
2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 662388
2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 663108
N-butyl-2-(3-cyanobenzamido)-3-(3-methoxypropyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 16062294
N,N-dimethyl-3-[6-(piperidin-4-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 44448939
N-(3-(2-acetamidoethyl)-6-(piperidine-1-carbonyl)-3H-imidazo[4,5-b]pyridin-2-yl)-3-cyanobenzamide
CID 52940891
2-(3-cyanobenzamido)-N-isopropyl-3-(3-methoxypropyl)-N-methyl-3H-imidazo[4,5-b]pyridine-6-carboxamide
CID 52943351
(S)-3-cyano-N-(3-(3-methoxypropyl)-6-(2-methylpiperidine-1-carbonyl)-3H-imidazo[4,5-b]pyridin-2-yl)benzamide
CID 52945717

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 162048209) is N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2nccnc12)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YYEPBJZMQSAIQR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26F3N5O2Si/c1-14(17-11-15(5-6-25-17)21(22,23)24)28-20(30)16-12-29(13-31-9-10-32(2,3)4)19-18(16)26-7-8-27-19/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,28,30)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 162048209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).