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

C55H68F6N16O3Si — CID 165023786

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

methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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 (PubChem CID 165023786) has the molecular formula C55H68F6N16O3Si and a molecular weight of 1143.33 g/mol. Its IUPAC name is methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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.

Molecular Properties

• Compound Name: methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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
• PubChem CID: 165023786
• Molecular Formula: C55H68F6N16O3Si
• Molecular Weight: 1143.33 g/mol
• Exact Mass: 1142.53
• IUPAC Name: methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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
• SMILES: C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4c(c(C(=O)NCCC(F)(F)F)nn4CCCc4ccccn4)C3)ncnc21.O=C(NCCC(F)(F)F)c1nn(CCCc2ccccn2)c2c1CN(c1ncnc3[nH]ccc13)CC2
• InChI: InChI=1S/C30H39F3N8O2Si.C24H25F3N8O.CH4/c1-44(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;25-24(26,27)8-11-30-23(36)20-18-14-34(22-17-6-10-29-21(17)31-15-32-22)13-7-19(18)35(33-20)12-3-5-16-4-1-2-9-28-16;/h4-5,7,9,12,15,20H,6,8,10-11,13-14,16-19,21H2,1-3H3,(H,35,42);1-2,4,6,9-10,15H,3,5,7-8,11-14H2,(H,30,36)(H,29,31,32);1H4
• InChIKey: LOGAHEDTHNIVGR-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 207.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1143.33
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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?

The IUPAC name of methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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 (CID 165023786) is methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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.

What is the SMILES notation for methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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?

The canonical SMILES for methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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 is C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4c(c(C(=O)NCCC(F)(F)F)nn4CCCc4ccccn4)C3)ncnc21.O=C(NCCC(F)(F)F)c1nn(CCCc2ccccn2)c2c1CN(c1ncnc3[nH]ccc13)CC2.

What is the InChIKey of methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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?

The InChIKey is LOGAHEDTHNIVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39F3N8O2Si.C24H25F3N8O.CH4/c1-44(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;25-24(26,27)8-11-30-23(36)20-18-14-34(22-17-6-10-29-21(17)31-15-32-22)13-7-19(18)35(33-20)12-3-5-16-4-1-2-9-28-16;/h4-5,7,9,12,15,20H,6,8,10-11,13-14,16-19,21H2,1-3H3,(H,35,42);1-2,4,6,9-10,15H,3,5,7-8,11-14H2,(H,30,36)(H,29,31,32);1H4.

What are the key properties of methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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?

methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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 has a molecular weight of 1143.33 g/mol, XLogP of 9.28, 21 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-(3-pyridin-2-ylpropyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;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 is sourced from PubChem (CID 165023786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).