methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde

C45H68F6N14O3Si2 — CID 164994087

About methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde

methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde (PubChem CID 164994087) has the molecular formula C45H68F6N14O3Si2 and a molecular weight of 1023.29 g/mol. Its IUPAC name is methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
• PubChem CID: 164994087
• Molecular Formula: C45H68F6N14O3Si2
• Molecular Weight: 1023.29 g/mol
• Exact Mass: 1022.50
• IUPAC Name: methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
• SMILES: C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(C=O)c4C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(CNCCC(F)(F)F)c4C3)ncnc21.NCCC(F)(F)F
• InChI: InChI=1S/C22H32F3N7OSi.C19H26N6O2Si.C3H6F3N.CH4/c1-34(2,3)11-10-33-15-32-8-4-16-20(27-14-28-21(16)32)31-9-5-18-17(13-31)19(30-29-18)12-26-7-6-22(23,24)25;1-28(2,3)9-8-27-13-25-6-4-14-18(20-12-21-19(14)25)24-7-5-16-15(10-24)17(11-26)23-22-16;4-3(5,6)1-2-7;/h4,8,14,26H,5-7,9-13,15H2,1-3H3,(H,29,30);4,6,11-12H,5,7-10,13H2,1-3H3,(H,22,23);1-2,7H2;1H4
• InChIKey: HHHYZLHTUVWPRI-UHFFFAOYSA-N
• XLogP: 8.45
• TPSA: 198.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1023.29
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?

The IUPAC name of methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde (CID 164994087) is methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde.

What is the SMILES notation for methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?

The canonical SMILES for methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde is C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(C=O)c4C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3CCc4[nH]nc(CNCCC(F)(F)F)c4C3)ncnc21.NCCC(F)(F)F.

What is the InChIKey of methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?

The InChIKey is HHHYZLHTUVWPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N7OSi.C19H26N6O2Si.C3H6F3N.CH4/c1-34(2,3)11-10-33-15-32-8-4-16-20(27-14-28-21(16)32)31-9-5-18-17(13-31)19(30-29-18)12-26-7-6-22(23,24)25;1-28(2,3)9-8-27-13-25-6-4-14-18(20-12-21-19(14)25)24-7-5-16-15(10-24)17(11-26)23-22-16;4-3(5,6)1-2-7;/h4,8,14,26H,5-7,9-13,15H2,1-3H3,(H,29,30);4,6,11-12H,5,7-10,13H2,1-3H3,(H,22,23);1-2,7H2;1H4.

What are the key properties of methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?

methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde has a molecular weight of 1023.29 g/mol, XLogP of 8.45, 18 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 164994087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).