6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

C52H67N17O2Si2 — CID 87167715

IUPAC6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCN(c5ncc6c(c5C#N)NCC6)C4)c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCNC4)c3)ncnc21
InChIInChI=1S/C30H36N10OSi.C22H31N7OSi/c1-42(2,3)13-12-41-20-39-11-7-24-28(35-19-36-29(24)39)23-16-37-40(18-23)26(4-8-31)22-6-10-38(17-22)30-25(14-32)27-21(15-34-30)5-9-33-27;1-31(2,3)11-10-30-16-28-9-6-19-21(25-15-26-22(19)28)18-13-27-29(14-18)20(4-7-23)17-5-8-24-12-17/h7,11,15-16,18-19,22,26,33H,4-6,9-10,12-13,17,20H2,1-3H3;6,9,13-15,17,20,24H,4-5,8,10-12,16H2,1-3H3
InChIKeyADDXSQODUMMYGX-UHFFFAOYSA-N
MW1018.40 g/mol
LogP8.49
Rot. Bonds19

About 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile (PubChem CID 87167715) has the molecular formula C52H67N17O2Si2 and a molecular weight of 1018.40 g/mol. Its IUPAC name is 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
PubChem CID87167715
Molecular FormulaC52H67N17O2Si2
Molecular Weight1018.40 g/mol
Exact Mass1017.52
IUPAC Name6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCN(c5ncc6c(c5C#N)NCC6)C4)c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCNC4)c3)ncnc21
InChIInChI=1S/C30H36N10OSi.C22H31N7OSi/c1-42(2,3)13-12-41-20-39-11-7-24-28(35-19-36-29(24)39)23-16-37-40(18-23)26(4-8-31)22-6-10-38(17-22)30-25(14-32)27-21(15-34-30)5-9-33-27;1-31(2,3)11-10-30-16-28-9-6-19-21(25-15-26-22(19)28)18-13-27-29(14-18)20(4-7-23)17-5-8-24-12-17/h7,11,15-16,18-19,22,26,33H,4-6,9-10,12-13,17,20H2,1-3H3;6,9,13-15,17,20,24H,4-5,8,10-12,16H2,1-3H3
InChIKeyADDXSQODUMMYGX-UHFFFAOYSA-N
XLogP8.49
TPSA227.08 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001018.40
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
The IUPAC name of 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile (CID 87167715) is 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile is C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCN(c5ncc6c(c5C#N)NCC6)C4)c3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCNC4)c3)ncnc21.
What is the InChIKey of 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
The InChIKey is ADDXSQODUMMYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N10OSi.C22H31N7OSi/c1-42(2,3)13-12-41-20-39-11-7-24-28(35-19-36-29(24)39)23-16-37-40(18-23)26(4-8-31)22-6-10-38(17-22)30-25(14-32)27-21(15-34-30)5-9-33-27;1-31(2,3)11-10-30-16-28-9-6-19-21(25-15-26-22(19)28)18-13-27-29(14-18)20(4-7-23)17-5-8-24-12-17/h7,11,15-16,18-19,22,26,33H,4-6,9-10,12-13,17,20H2,1-3H3;6,9,13-15,17,20,24H,4-5,8,10-12,16H2,1-3H3.
What are the key properties of 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile has a molecular weight of 1018.40 g/mol, XLogP of 8.49, 19 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile;3-pyrrolidin-3-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 87167715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).