3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine

C23H34ClN5O3Si — CID 162477874

IUPAC3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCNc1c(-c2cn(C3CCOCC3)nc2OC)cnc2c1c(Cl)cn2COCC[Si](C)(C)C
InChIInChI=1S/C23H34ClN5O3Si/c1-25-21-17(18-13-29(27-23(18)30-2)16-6-8-31-9-7-16)12-26-22-20(21)19(24)14-28(22)15-32-10-11-33(3,4)5/h12-14,16H,6-11,15H2,1-5H3,(H,25,26)
InChIKeyLGASZNHEXPPOJD-UHFFFAOYSA-N
MW492.10 g/mol
LogP5.27
Rot. Bonds9

About 3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine

3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 162477874) has the molecular formula C23H34ClN5O3Si and a molecular weight of 492.10 g/mol. Its IUPAC name is 3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
PubChem CID162477874
Molecular FormulaC23H34ClN5O3Si
Molecular Weight492.10 g/mol
Exact Mass491.21
IUPAC Name3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCNc1c(-c2cn(C3CCOCC3)nc2OC)cnc2c1c(Cl)cn2COCC[Si](C)(C)C
InChIInChI=1S/C23H34ClN5O3Si/c1-25-21-17(18-13-29(27-23(18)30-2)16-6-8-31-9-7-16)12-26-22-20(21)19(24)14-28(22)15-32-10-11-33(3,4)5/h12-14,16H,6-11,15H2,1-5H3,(H,25,26)
InChIKeyLGASZNHEXPPOJD-UHFFFAOYSA-N
XLogP5.27
TPSA75.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.10
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 164740944
1-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-3-[(3R)-oxolan-3-yl]urea
CID 157126658
2-chloro-4-(oxan-4-yloxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142416302
1-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 142494704
tert-butyl (4R)-4-[[5-cyano-3-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]-3,3-dimethylpyrrolidine-1-carboxylate
CID 177243059
2-[(4-chloro-3-ethylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 67502225
trimethyl-[2-[[5-(oxan-4-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane;hydrochloride
CID 177242980
2-[[6-chloro-3-(5-fluoro-2-methoxy-4-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250787
trimethyl-[2-[[4-(oxolan-3-yloxy)-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 146169583
4-[2-chloro-4-cyclobutyloxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylbenzamide
CID 86726454
2-[(2-chloro-4-cyclopentyloxy-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86726423
2,5-dichloro-N-[3-[3-methyl-4-nitro-1-(oxetan-3-yl)pyrazol-5-yl]oxypropyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 170590020

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 162477874) is 3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is CNc1c(-c2cn(C3CCOCC3)nc2OC)cnc2c1c(Cl)cn2COCC[Si](C)(C)C.
What is the InChIKey of 3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is LGASZNHEXPPOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN5O3Si/c1-25-21-17(18-13-29(27-23(18)30-2)16-6-8-31-9-7-16)12-26-22-20(21)19(24)14-28(22)15-32-10-11-33(3,4)5/h12-14,16H,6-11,15H2,1-5H3,(H,25,26).
What are the key properties of 3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 492.10 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 162477874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).