2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide

C56H57Cl2N15O4S2 — CID 160887999

About 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide

2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide (PubChem CID 160887999) has the molecular formula C56H57Cl2N15O4S2 and a molecular weight of 1139.21 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide
• PubChem CID: 160887999
• Molecular Formula: C56H57Cl2N15O4S2
• Molecular Weight: 1139.21 g/mol
• Exact Mass: 1137.35
• IUPAC Name: 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)S(N)=O.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(=NS(=O)C(C)(C)C)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(N)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1
• InChI: InChI=1S/C28H26ClN7O2S.C24H20ClN7O.C4H11NOS/c1-28(2,3)39(38)34-26(19-5-9-22(29)10-6-19)27(37)33-23-11-7-18(8-12-23)25-24-13-20(16-36(24)32-17-30-25)21-14-31-35(4)15-21;1-31-12-18(11-28-31)17-10-21-23(27-14-29-32(21)13-17)16-4-8-20(9-5-16)30-24(33)22(26)15-2-6-19(25)7-3-15;1-4(2,3)7(5)6/h5-17H,1-4H3,(H,33,37);2-14,22H,26H2,1H3,(H,30,33);5H2,1-3H3
• InChIKey: SNWWGTXNLSOLEH-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 252.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1139.21
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide?

The IUPAC name of 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide (CID 160887999) is 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide.

What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide?

The canonical SMILES for 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide is CC(C)(C)S(N)=O.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(=NS(=O)C(C)(C)C)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(N)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1.

What is the InChIKey of 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide?

The InChIKey is SNWWGTXNLSOLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN7O2S.C24H20ClN7O.C4H11NOS/c1-28(2,3)39(38)34-26(19-5-9-22(29)10-6-19)27(37)33-23-11-7-18(8-12-23)25-24-13-20(16-36(24)32-17-30-25)21-14-31-35(4)15-21;1-31-12-18(11-28-31)17-10-21-23(27-14-29-32(21)13-17)16-4-8-20(9-5-16)30-24(33)22(26)15-2-6-19(25)7-3-15;1-4(2,3)7(5)6/h5-17H,1-4H3,(H,33,37);2-14,22H,26H2,1H3,(H,30,33);5H2,1-3H3.

What are the key properties of 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide?

2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide has a molecular weight of 1139.21 g/mol, XLogP of 9.84, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide is sourced from PubChem (CID 160887999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).