4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

C22H30N6OSi — CID 140943320

IUPAC4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCc1cn(C)nc1Nc1cc(C2CC2)c2c(C#N)cn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C22H30N6OSi/c1-15-12-27(2)26-21(15)24-19-10-18(16-6-7-16)20-17(11-23)13-28(22(20)25-19)14-29-8-9-30(3,4)5/h10,12-13,16H,6-9,14H2,1-5H3,(H,24,25,26)
InChIKeyNDYOXFAVQVQAJI-UHFFFAOYSA-N
MW422.61 g/mol
LogP4.88
Rot. Bonds8

About 4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 140943320) has the molecular formula C22H30N6OSi and a molecular weight of 422.61 g/mol. Its IUPAC name is 4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID140943320
Molecular FormulaC22H30N6OSi
Molecular Weight422.61 g/mol
Exact Mass422.23
IUPAC Name4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCc1cn(C)nc1Nc1cc(C2CC2)c2c(C#N)cn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C22H30N6OSi/c1-15-12-27(2)26-21(15)24-19-10-18(16-6-7-16)20-17(11-23)13-28(22(20)25-19)14-29-8-9-30(3,4)5/h10,12-13,16H,6-9,14H2,1-5H3,(H,24,25,26)
InChIKeyNDYOXFAVQVQAJI-UHFFFAOYSA-N
XLogP4.88
TPSA80.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-chloro-4-(cyclopropylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142416386
6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 142436040
7-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine
CID 140943272
2-chloro-4-(oxan-4-yloxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142416302
2-[4-[[4-cyclopropyl-5-fluoro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 140943263
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
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
3-(1-ethylsulfonylpiperidin-4-yl)-5-(4-methoxyphenoxy)-1-(2-trimethylsilylethoxymethyl)indole-7-carbonitrile
CID 59830817
4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;4-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 161136857
N,N,3-trimethyl-4-[[4-(oxan-4-ylamino)-5-pyridin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 86726431
tert-butyl (3R)-3-[[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 156807329
5-iodo-2,3-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 167537057

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 140943320) is 4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile is Cc1cn(C)nc1Nc1cc(C2CC2)c2c(C#N)cn(COCC[Si](C)(C)C)c2n1.
What is the InChIKey of 4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is NDYOXFAVQVQAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6OSi/c1-15-12-27(2)26-21(15)24-19-10-18(16-6-7-16)20-17(11-23)13-28(22(20)25-19)14-29-8-9-30(3,4)5/h10,12-13,16H,6-9,14H2,1-5H3,(H,24,25,26).
What are the key properties of 4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile?
4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 422.61 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 140943320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).