methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one

C62H79F6N15O4Si2 — CID 165074619

About methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one

methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one (PubChem CID 165074619) has the molecular formula C62H79F6N15O4Si2 and a molecular weight of 1268.57 g/mol. Its IUPAC name is methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one.

Molecular Properties

• Compound Name: methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one
• PubChem CID: 165074619
• Molecular Formula: C62H79F6N15O4Si2
• Molecular Weight: 1268.57 g/mol
• Exact Mass: 1267.59
• IUPAC Name: methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one
• SMILES: C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4c(c(C(=O)CCCC(F)(F)F)nn4CC#Cc4ccccn4)C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3CCc4c(c(C(=O)NCCC(F)(F)F)nn4CCCc4ccccn4)C3)ncnc21
• InChI: InChI=1S/C31H36F3N7O2Si.C30H39F3N8O2Si.CH4/c1-44(2,3)19-18-43-22-40-16-11-24-29(36-21-37-30(24)40)39-17-12-26-25(20-39)28(27(42)10-6-13-31(32,33)34)38-41(26)15-7-9-23-8-4-5-14-35-23;1-44(2,3)18-17-43-21-40-15-9-23-27(36-20-37-28(23)40)39-16-10-25-24(19-39)26(29(42)35-13-11-30(31,32)33)38-41(25)14-6-8-22-7-4-5-12-34-22;/h4-5,8,11,14,16,21H,6,10,12-13,15,17-20,22H2,1-3H3;4-5,7,9,12,15,20H,6,8,10-11,13-14,16-19,21H2,1-3H3,(H,35,42);1H4
• InChIKey: UCIFPPARNWRKCX-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 193.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1268.57
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

The IUPAC name of methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one (CID 165074619) is methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one.

What is the SMILES notation for methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

The canonical SMILES for methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one is C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4c(c(C(=O)CCCC(F)(F)F)nn4CC#Cc4ccccn4)C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3CCc4c(c(C(=O)NCCC(F)(F)F)nn4CCCc4ccccn4)C3)ncnc21.

What is the InChIKey of methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

The InChIKey is UCIFPPARNWRKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N7O2Si.C30H39F3N8O2Si.CH4/c1-44(2,3)19-18-43-22-40-16-11-24-29(36-21-37-30(24)40)39-17-12-26-25(20-39)28(27(42)10-6-13-31(32,33)34)38-41(26)15-7-9-23-8-4-5-14-35-23;1-44(2,3)18-17-43-21-40-15-9-23-27(36-20-37-28(23)40)39-16-10-25-24(19-39)26(29(42)35-13-11-30(31,32)33)38-41(25)14-6-8-22-7-4-5-12-34-22;/h4-5,8,11,14,16,21H,6,10,12-13,15,17-20,22H2,1-3H3;4-5,7,9,12,15,20H,6,8,10-11,13-14,16-19,21H2,1-3H3,(H,35,42);1H4.

What are the key properties of methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one has a molecular weight of 1268.57 g/mol, XLogP of 11.71, 24 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-(3-pyridin-2-ylpropyl)-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;5,5,5-trifluoro-1-[1-(3-pyridin-2-ylprop-2-ynyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]pentan-1-one is sourced from PubChem (CID 165074619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).