2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide

C47H56F2N16O2 — CID 143921352

About 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide

2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 143921352) has the molecular formula C47H56F2N16O2 and a molecular weight of 915.07 g/mol. Its IUPAC name is 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
• PubChem CID: 143921352
• Molecular Formula: C47H56F2N16O2
• Molecular Weight: 915.07 g/mol
• Exact Mass: 914.47
• IUPAC Name: 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
• SMILES: CN(C)CC=O.CNC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1.Cc1cc(Nc2nc(C(NC(=O)CN3CCC(C)CC3)c3ccc(F)cc3)nn3cccc23)n[nH]1
• InChI: InChI=1S/C25H29FN8O.C18H18FN7.C4H9NO/c1-16-9-12-33(13-10-16)15-22(35)28-23(18-5-7-19(26)8-6-18)25-29-24(20-4-3-11-34(20)32-25)27-21-14-17(2)30-31-21;1-11-10-15(24-23-11)21-17-14-4-3-9-26(14)25-18(22-17)16(20-2)12-5-7-13(19)8-6-12;1-5(2)3-4-6/h3-8,11,14,16,23H,9-10,12-13,15H2,1-2H3,(H,28,35)(H2,27,29,30,31,32);3-10,16,20H,1-2H3,(H2,21,22,23,24,25);4H,3H2,1-2H3
• InChIKey: FGYPQUISXZHPQC-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 206.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	915.07
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?

The IUPAC name of 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 143921352) is 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide.

What is the SMILES notation for 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?

The canonical SMILES for 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide is CN(C)CC=O.CNC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1.Cc1cc(Nc2nc(C(NC(=O)CN3CCC(C)CC3)c3ccc(F)cc3)nn3cccc23)n[nH]1.

What is the InChIKey of 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?

The InChIKey is FGYPQUISXZHPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O.C18H18FN7.C4H9NO/c1-16-9-12-33(13-10-16)15-22(35)28-23(18-5-7-19(26)8-6-18)25-29-24(20-4-3-11-34(20)32-25)27-21-14-17(2)30-31-21;1-11-10-15(24-23-11)21-17-14-4-3-9-26(14)25-18(22-17)16(20-2)12-5-7-13(19)8-6-12;1-5(2)3-4-6/h3-8,11,14,16,23H,9-10,12-13,15H2,1-2H3,(H,28,35)(H2,27,29,30,31,32);3-10,16,20H,1-2H3,(H2,21,22,23,24,25);4H,3H2,1-2H3.

What are the key properties of 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?

2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 915.07 g/mol, XLogP of 6.28, 14 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)acetaldehyde;2-[(4-fluorophenyl)-(methylamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 143921352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).