1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C25H36F3N7O3Si — CID 164739900

IUPAC1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCCC(F)(F)F)c2c1CCN(c1ncnc3c1ccn3COCC[Si](C)(C)C)C2
InChIInChI=1S/C25H36F3N7O3Si/c1-37-12-11-35-20-6-10-33(15-19(20)21(32-35)24(36)29-8-7-25(26,27)28)22-18-5-9-34(23(18)31-16-30-22)17-38-13-14-39(2,3)4/h5,9,16H,6-8,10-15,17H2,1-4H3,(H,29,36)
InChIKeyLIERSJAFEXYADL-UHFFFAOYSA-N
MW567.69 g/mol
LogP3.83
Rot. Bonds12

About 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 164739900) has the molecular formula C25H36F3N7O3Si and a molecular weight of 567.69 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID164739900
Molecular FormulaC25H36F3N7O3Si
Molecular Weight567.69 g/mol
Exact Mass567.26
IUPAC Name1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCCC(F)(F)F)c2c1CCN(c1ncnc3c1ccn3COCC[Si](C)(C)C)C2
InChIInChI=1S/C25H36F3N7O3Si/c1-37-12-11-35-20-6-10-33(15-19(20)21(32-35)24(36)29-8-7-25(26,27)28)22-18-5-9-34(23(18)31-16-30-22)17-38-13-14-39(2,3)4/h5,9,16H,6-8,10-15,17H2,1-4H3,(H,29,36)
InChIKeyLIERSJAFEXYADL-UHFFFAOYSA-N
XLogP3.83
TPSA99.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.69
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

US9999619, Example 384
CID 53379452
US9777000, Example 3.27
CID 90383370
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide
CID 90684019
1-[2-oxo-2-[(1R,3S,5R)-3-(2-trimethylsilylethylcarbamoyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 129012454
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465734
5-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26222436
5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2-(4-morpholinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4765150
5-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 46208414
[2,6-Difluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 57820164
[2,6-Difluoro-4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 57820469
(+/-)-4-{1-[2-fluoro-1-(piperazin-1-ylmethyl)ethyl]-1H-pyrazol-4-yl}-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidine
CID 67054961
4-{[4-{3-cyano-2-[4-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propyl}-3-(methoxymethyl)piperazin-1-yl]carbonyl}-3-fluorobenzonitrile
CID 67055040

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 164739900) is 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COCCn1nc(C(=O)NCCC(F)(F)F)c2c1CCN(c1ncnc3c1ccn3COCC[Si](C)(C)C)C2.
What is the InChIKey of 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is LIERSJAFEXYADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F3N7O3Si/c1-37-12-11-35-20-6-10-33(15-19(20)21(32-35)24(36)29-8-7-25(26,27)28)22-18-5-9-34(23(18)31-16-30-22)17-38-13-14-39(2,3)4/h5,9,16H,6-8,10-15,17H2,1-4H3,(H,29,36).
What are the key properties of 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 567.69 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164739900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).