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

C62H90F9N21O3Si2 — CID 165037323

About methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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 165037323) has the molecular formula C62H90F9N21O3Si2 and a molecular weight of 1404.70 g/mol. Its IUPAC name is methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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: 165037323
• Molecular Formula: C62H90F9N21O3Si2
• Molecular Weight: 1404.70 g/mol
• Exact Mass: 1403.69
• IUPAC Name: methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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.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.FC(F)(F)CCNCc1n[nH]c2c1CN(c1ncnc3[nH]ccc13)CC2.NCCC(F)(F)F
• InChI: InChI=1S/C22H32F3N7OSi.C19H26N6O2Si.C16H18F3N7.C3H6F3N.2CH4/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;17-16(18,19)3-5-20-7-13-11-8-26(6-2-12(11)24-25-13)15-10-1-4-21-14(10)22-9-23-15;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);1,4,9,20H,2-3,5-8H2,(H,24,25)(H,21,22,23);1-2,7H2;2*1H4
• InChIKey: NOWKDPGYTDGTIU-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 284.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1404.70
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

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-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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 165037323) is methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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.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.FC(F)(F)CCNCc1n[nH]c2c1CN(c1ncnc3[nH]ccc13)CC2.NCCC(F)(F)F.

What is the InChIKey of methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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 NOWKDPGYTDGTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N7OSi.C19H26N6O2Si.C16H18F3N7.C3H6F3N.2CH4/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;17-16(18,19)3-5-20-7-13-11-8-26(6-2-12(11)24-25-13)15-10-1-4-21-14(10)22-9-23-15;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);1,4,9,20H,2-3,5-8H2,(H,24,25)(H,21,22,23);1-2,7H2;2*1H4.

What are the key properties of methane;3,3,3-trifluoropropan-1-amine;3,3,3-trifluoro-N-[[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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 1404.70 g/mol, XLogP of 11.37, 23 rotatable bonds, 7 hydrogen bond donors, and 20 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-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methyl]propan-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 165037323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).