2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one

C110H135Br5F9N24O8PSi3 — CID 165038407

About 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one

2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one (PubChem CID 165038407) has the molecular formula C110H135Br5F9N24O8PSi3 and a molecular weight of 2607.18 g/mol. Its IUPAC name is 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one.

Molecular Properties

• Compound Name: 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one
• PubChem CID: 165038407
• Molecular Formula: C110H135Br5F9N24O8PSi3
• Molecular Weight: 2607.18 g/mol
• Exact Mass: 2600.57
• IUPAC Name: 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one
• SMILES: BrCC#Cc1ccccn1.BrP(Br)Br.Brc1ccccn1.C.C.C#CCO.C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(C(=O)CCCC(F)(F)F)c4C3)ncnc21.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.OCC#Cc1ccccn1
• InChI: InChI=1S/C31H36F3N7O2Si.C30H39F3N8O2Si.C23H31F3N6O2Si.C8H6BrN.C8H7NO.C5H4BrN.C3H4O.2CH4.Br3P/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;1-35(2,3)12-11-34-15-32-9-6-16-21(27-14-28-22(16)32)31-10-7-18-17(13-31)20(30-29-18)19(33)5-4-8-23(24,25)26;9-6-3-5-8-4-1-2-7-10-8;10-7-3-5-8-4-1-2-6-9-8;6-5-3-1-2-4-7-5;1-2-3-4;;;1-4(2)3/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);6,9,14H,4-5,7-8,10-13,15H2,1-3H3,(H,29,30);1-2,4,7H,6H2;1-2,4,6,10H,7H2;1-4H;1,4H,3H2;2*1H4
• InChIKey: NSWZPZRCBILTGX-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 362.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2607.18
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

The IUPAC name of 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one (CID 165038407) is 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one.

What is the SMILES notation for 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

The canonical SMILES for 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one is BrCC#Cc1ccccn1.BrP(Br)Br.Brc1ccccn1.C.C.C#CCO.C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(C(=O)CCCC(F)(F)F)c4C3)ncnc21.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.OCC#Cc1ccccn1.

What is the InChIKey of 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

The InChIKey is NSWZPZRCBILTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N7O2Si.C30H39F3N8O2Si.C23H31F3N6O2Si.C8H6BrN.C8H7NO.C5H4BrN.C3H4O.2CH4.Br3P/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;1-35(2,3)12-11-34-15-32-9-6-16-21(27-14-28-22(16)32)31-10-7-18-17(13-31)20(30-29-18)19(33)5-4-8-23(24,25)26;9-6-3-5-8-4-1-2-7-10-8;10-7-3-5-8-4-1-2-6-9-8;6-5-3-1-2-4-7-5;1-2-3-4;;;1-4(2)3/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);6,9,14H,4-5,7-8,10-13,15H2,1-3H3,(H,29,30);1-2,4,7H,6H2;1-2,4,6,10H,7H2;1-4H;1,4H,3H2;2*1H4;.

What are the key properties of 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one?

2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one has a molecular weight of 2607.18 g/mol, XLogP of 24.40, 34 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromoprop-1-ynyl)pyridine;2-bromopyridine;methane;prop-2-yn-1-ol;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;3-pyridin-2-ylprop-2-yn-1-ol;tribromophosphane;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;5,5,5-trifluoro-1-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]pentan-1-one is sourced from PubChem (CID 165038407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).