2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;2-methylpropane-2-sulfinamide

C112H114Cl4N28O8S3 — CID 157237189

About 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;2-methylpropane-2-sulfinamide (PubChem CID 157237189) has the molecular formula C112H114Cl4N28O8S3 and a molecular weight of 2218.34 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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;2-methylpropane-2-sulfinamide
• PubChem CID: 157237189
• Molecular Formula: C112H114Cl4N28O8S3
• Molecular Weight: 2218.34 g/mol
• Exact Mass: 2214.73
• 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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;2-methylpropane-2-sulfinamide
• SMILES: C.C.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(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(C)(N)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(C)(NS(=O)C(C)(C)C)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1
• InChI: InChI=1S/C29H30ClN7O2S.C28H26ClN7O2S.C25H22ClN7O.C24H17ClN6O2.C4H11NOS.2CH4/c1-28(2,3)40(39)35-29(4,22-8-10-23(30)11-9-22)27(38)34-24-12-6-19(7-13-24)26-25-14-20(17-37(25)33-18-31-26)21-15-32-36(5)16-21;1-28(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;1-25(27,19-5-7-20(26)8-6-19)24(34)31-21-9-3-16(4-10-21)23-22-11-17(14-33(22)30-15-28-23)18-12-29-32(2)13-18;1-30-12-18(11-27-30)17-10-21-22(26-14-28-31(21)13-17)15-4-8-20(9-5-15)29-24(33)23(32)16-2-6-19(25)7-3-16;1-4(2,3)7(5)6;;/h6-18,35H,1-5H3,(H,34,38);5-17H,1-4H3,(H,33,37);3-15H,27H2,1-2H3,(H,31,34);2-14H,1H3,(H,29,33);5H2,1-3H3;2*1H4
• InChIKey: AUTUECTWBXJKBH-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 453.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2218.34
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;2-methylpropane-2-sulfinamide (CID 157237189) is 2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;2-methylpropane-2-sulfinamide is C.C.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(=O)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(C)(N)c5ccc(Cl)cc5)cc4)ncnn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(C)(NS(=O)C(C)(C)C)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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;2-methylpropane-2-sulfinamide?

The InChIKey is AUTUECTWBXJKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN7O2S.C28H26ClN7O2S.C25H22ClN7O.C24H17ClN6O2.C4H11NOS.2CH4/c1-28(2,3)40(39)35-29(4,22-8-10-23(30)11-9-22)27(38)34-24-12-6-19(7-13-24)26-25-14-20(17-37(25)33-18-31-26)21-15-32-36(5)16-21;1-28(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;1-25(27,19-5-7-20(26)8-6-19)24(34)31-21-9-3-16(4-10-21)23-22-11-17(14-33(22)30-15-28-23)18-12-29-32(2)13-18;1-30-12-18(11-27-30)17-10-21-22(26-14-28-31(21)13-17)15-4-8-20(9-5-15)29-24(33)23(32)16-2-6-19(25)7-3-16;1-4(2,3)7(5)6;;/h6-18,35H,1-5H3,(H,34,38);5-17H,1-4H3,(H,33,37);3-15H,27H2,1-2H3,(H,31,34);2-14H,1H3,(H,29,33);5H2,1-3H3;2*1H4.

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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;2-methylpropane-2-sulfinamide has a molecular weight of 2218.34 g/mol, XLogP of 20.91, 23 rotatable bonds, 7 hydrogen bond donors, and 29 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]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;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-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide;methane;2-methylpropane-2-sulfinamide is sourced from PubChem (CID 157237189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).