2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine

C19H32N4OSi — CID 156794344

IUPAC2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine
SMILESC[C@H]1CCCN1Cc1cc2ncc(N)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C19H32N4OSi/c1-15-6-5-7-22(15)13-17-11-18-19(10-16(20)12-21-18)23(17)14-24-8-9-25(2,3)4/h10-12,15H,5-9,13-14,20H2,1-4H3/t15-/m0/s1
InChIKeyAAFSUWYZLAPFJW-HNNXBMFYSA-N
MW360.58 g/mol
LogP3.92
Rot. Bonds7

About 2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine

2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine (PubChem CID 156794344) has the molecular formula C19H32N4OSi and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine.

Molecular Properties

Compound Name2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine
PubChem CID156794344
Molecular FormulaC19H32N4OSi
Molecular Weight360.58 g/mol
Exact Mass360.23
IUPAC Name2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine
SMILESC[C@H]1CCCN1Cc1cc2ncc(N)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C19H32N4OSi/c1-15-6-5-7-22(15)13-17-11-18-19(10-16(20)12-21-18)23(17)14-24-8-9-25(2,3)4/h10-12,15H,5-9,13-14,20H2,1-4H3/t15-/m0/s1
InChIKeyAAFSUWYZLAPFJW-HNNXBMFYSA-N
XLogP3.92
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-methyl-N-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
CID 166517471
N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 156794328
N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide
CID 156794321
trimethyl-[2-[[2-[[(2S)-2-methylazetidin-1-yl]methyl]pyrrol-1-yl]methoxy]ethyl]silane
CID 166517472
2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-amine
CID 93391422
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
4-[(2-methylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 130638362
1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 23566973
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine
CID 118943869
5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056511

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine?
The IUPAC name of 2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine (CID 156794344) is 2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine.
What is the SMILES notation for 2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine?
The canonical SMILES for 2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine is C[C@H]1CCCN1Cc1cc2ncc(N)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine?
The InChIKey is AAFSUWYZLAPFJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N4OSi/c1-15-6-5-7-22(15)13-17-11-18-19(10-16(20)12-21-18)23(17)14-24-8-9-25(2,3)4/h10-12,15H,5-9,13-14,20H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine?
2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine has a molecular weight of 360.58 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-6-amine is sourced from PubChem (CID 156794344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).