1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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

C50H56F6N16O3Si — CID 165079282

About 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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 165079282) has the molecular formula C50H56F6N16O3Si and a molecular weight of 1071.18 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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: 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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: 165079282
• Molecular Formula: C50H56F6N16O3Si
• Molecular Weight: 1071.18 g/mol
• Exact Mass: 1070.44
• IUPAC Name: 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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[Si](C)(C)CCOCn1ccc2c(N3CCc4c(c(C(=O)NCCC(F)(F)F)nn4Cc4ccncc4)C3)ncnc21.O=C(NCCC(F)(F)F)c1nn(Cc2ccncc2)c2c1CN(c1ncnc3[nH]ccc13)CC2
• InChI: InChI=1S/C28H35F3N8O2Si.C22H21F3N8O/c1-42(2,3)15-14-41-19-38-12-6-21-25(34-18-35-26(21)38)37-13-7-23-22(17-37)24(27(40)33-11-8-28(29,30)31)36-39(23)16-20-4-9-32-10-5-20;23-22(24,25)5-9-28-21(34)18-16-12-32(20-15-3-8-27-19(15)29-13-30-20)10-4-17(16)33(31-18)11-14-1-6-26-7-2-14/h4-6,9-10,12,18H,7-8,11,13-17,19H2,1-3H3,(H,33,40);1-3,6-8,13H,4-5,9-12H2,(H,28,34)(H,27,29,30)
• InChIKey: UVSQLXPSVYEPFM-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 207.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1071.18
LogP ≤ 5	7.47
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 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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 165079282) is 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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[Si](C)(C)CCOCn1ccc2c(N3CCc4c(c(C(=O)NCCC(F)(F)F)nn4Cc4ccncc4)C3)ncnc21.O=C(NCCC(F)(F)F)c1nn(Cc2ccncc2)c2c1CN(c1ncnc3[nH]ccc13)CC2.

What is the InChIKey of 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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 UVSQLXPSVYEPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N8O2Si.C22H21F3N8O/c1-42(2,3)15-14-41-19-38-12-6-21-25(34-18-35-26(21)38)37-13-7-23-22(17-37)24(27(40)33-11-8-28(29,30)31)36-39(23)16-20-4-9-32-10-5-20;23-22(24,25)5-9-28-21(34)18-16-12-32(20-15-3-8-27-19(15)29-13-30-20)10-4-17(16)33(31-18)11-14-1-6-26-7-2-14/h4-6,9-10,12,18H,7-8,11,13-17,19H2,1-3H3,(H,33,40);1-3,6-8,13H,4-5,9-12H2,(H,28,34)(H,27,29,30).

What are the key properties of 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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 1071.18 g/mol, XLogP of 7.47, 17 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(pyridin-4-ylmethyl)-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-(pyridin-4-ylmethyl)-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 165079282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).