4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

C77H67ClN24O7S2 — CID 158672448

About 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (PubChem CID 158672448) has the molecular formula C77H67ClN24O7S2 and a molecular weight of 1540.13 g/mol. Its IUPAC name is 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• PubChem CID: 158672448
• Molecular Formula: C77H67ClN24O7S2
• Molecular Weight: 1540.13 g/mol
• Exact Mass: 1538.48
• IUPAC Name: 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• SMILES: Cc1ccc(S(=O)(=O)n2ccc3c(Nc4ccc5cnn(C)c5c4)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Nc4ccc5cnn(C)c5c4)nc(Nc4ccc(C(N)=O)cc4)nc32)cc1.Cn1ncc2ccc(Nc3nc(Nc4ccc(C(N)=O)cc4)nc4[nH]ccc34)cc21.NC(=O)c1ccc(N)cc1
• InChI: InChI=1S/C28H24N8O3S.C21H17ClN6O2S.C21H18N8O.C7H8N2O/c1-17-3-11-22(12-4-17)40(38,39)36-14-13-23-26(31-21-10-7-19-16-30-35(2)24(19)15-21)33-28(34-27(23)36)32-20-8-5-18(6-9-20)25(29)37;1-13-3-7-16(8-4-13)31(29,30)28-10-9-17-19(25-21(22)26-20(17)28)24-15-6-5-14-12-23-27(2)18(14)11-15;1-29-17-10-15(7-4-13(17)11-24-29)25-20-16-8-9-23-19(16)27-21(28-20)26-14-5-2-12(3-6-14)18(22)30;8-6-3-1-5(2-4-6)7(9)10/h3-16H,1-2H3,(H2,29,37)(H2,31,32,33,34);3-12H,1-2H3,(H,24,25,26);2-11H,1H3,(H2,22,30)(H3,23,25,26,27,28);1-4H,8H2,(H2,9,10)
• InChIKey: IECOYNOGVZTCGJ-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 440.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1540.13
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The IUPAC name of 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (CID 158672448) is 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

What is the SMILES notation for 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The canonical SMILES for 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is Cc1ccc(S(=O)(=O)n2ccc3c(Nc4ccc5cnn(C)c5c4)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Nc4ccc5cnn(C)c5c4)nc(Nc4ccc(C(N)=O)cc4)nc32)cc1.Cn1ncc2ccc(Nc3nc(Nc4ccc(C(N)=O)cc4)nc4[nH]ccc34)cc21.NC(=O)c1ccc(N)cc1.

What is the InChIKey of 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The InChIKey is IECOYNOGVZTCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O3S.C21H17ClN6O2S.C21H18N8O.C7H8N2O/c1-17-3-11-22(12-4-17)40(38,39)36-14-13-23-26(31-21-10-7-19-16-30-35(2)24(19)15-21)33-28(34-27(23)36)32-20-8-5-18(6-9-20)25(29)37;1-13-3-7-16(8-4-13)31(29,30)28-10-9-17-19(25-21(22)26-20(17)28)24-15-6-5-14-12-23-27(2)18(14)11-15;1-29-17-10-15(7-4-13(17)11-24-29)25-20-16-8-9-23-19(16)27-21(28-20)26-14-5-2-12(3-6-14)18(22)30;8-6-3-1-5(2-4-6)7(9)10/h3-16H,1-2H3,(H2,29,37)(H2,31,32,33,34);3-12H,1-2H3,(H,24,25,26);2-11H,1H3,(H2,22,30)(H3,23,25,26,27,28);1-4H,8H2,(H2,9,10).

What are the key properties of 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide has a molecular weight of 1540.13 g/mol, XLogP of 12.51, 17 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 158672448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).