(4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

C110H91F3N24O9 — CID 158588368

About (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

(4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 158588368) has the molecular formula C110H91F3N24O9 and a molecular weight of 1950.09 g/mol. Its IUPAC name is (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

• Compound Name: (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
• PubChem CID: 158588368
• Molecular Formula: C110H91F3N24O9
• Molecular Weight: 1950.09 g/mol
• Exact Mass: 1948.74
• IUPAC Name: (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
• SMILES: CC(=O)N1CCc2cc(Nc3ncnc4[nH]cc(C(=O)c5ccccc5)c34)ccc21.CN(C)CC(=O)Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1.O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3ccc(NC(=O)C4CCCC4)cc3)c12.O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3cccc(OC(F)(F)F)c3)c12.O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3ccccc3)c12
• InChI: InChI=1S/C25H23N5O2.C23H22N6O2.C23H19N5O2.C20H13F3N4O2.C19H14N4O/c31-22(16-6-2-1-3-7-16)20-14-26-23-21(20)24(28-15-27-23)29-18-10-12-19(13-11-18)30-25(32)17-8-4-5-9-17;1-29(2)13-19(30)27-16-8-10-17(11-9-16)28-23-20-18(12-24-22(20)25-14-26-23)21(31)15-6-4-3-5-7-15;1-14(29)28-10-9-16-11-17(7-8-19(16)28)27-23-20-18(12-24-22(20)25-13-26-23)21(30)15-5-3-2-4-6-15;21-20(22,23)29-14-8-4-7-13(9-14)27-19-16-15(10-24-18(16)25-11-26-19)17(28)12-5-2-1-3-6-12;24-17(13-7-3-1-4-8-13)15-11-20-18-16(15)19(22-12-21-18)23-14-9-5-2-6-10-14/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,30,32)(H2,26,27,28,29);3-12,14H,13H2,1-2H3,(H,27,30)(H2,24,25,26,28);2-8,11-13H,9-10H2,1H3,(H2,24,25,26,27);1-11H,(H2,24,25,26,27);1-12H,(H2,20,21,22,23)
• InChIKey: HUCUYAMGFMVWNK-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 444.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1950.09
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?

The IUPAC name of (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (CID 158588368) is (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.

What is the SMILES notation for (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?

The canonical SMILES for (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is CC(=O)N1CCc2cc(Nc3ncnc4[nH]cc(C(=O)c5ccccc5)c34)ccc21.CN(C)CC(=O)Nc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1.O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3ccc(NC(=O)C4CCCC4)cc3)c12.O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3cccc(OC(F)(F)F)c3)c12.O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3ccccc3)c12.

What is the InChIKey of (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?

The InChIKey is HUCUYAMGFMVWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2.C23H22N6O2.C23H19N5O2.C20H13F3N4O2.C19H14N4O/c31-22(16-6-2-1-3-7-16)20-14-26-23-21(20)24(28-15-27-23)29-18-10-12-19(13-11-18)30-25(32)17-8-4-5-9-17;1-29(2)13-19(30)27-16-8-10-17(11-9-16)28-23-20-18(12-24-22(20)25-14-26-23)21(31)15-6-4-3-5-7-15;1-14(29)28-10-9-16-11-17(7-8-19(16)28)27-23-20-18(12-24-22(20)25-13-26-23)21(30)15-5-3-2-4-6-15;21-20(22,23)29-14-8-4-7-13(9-14)27-19-16-15(10-24-18(16)25-11-26-19)17(28)12-5-2-1-3-6-12;24-17(13-7-3-1-4-8-13)15-11-20-18-16(15)19(22-12-21-18)23-14-9-5-2-6-10-14/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,30,32)(H2,26,27,28,29);3-12,14H,13H2,1-2H3,(H,27,30)(H2,24,25,26,28);2-8,11-13H,9-10H2,1H3,(H2,24,25,26,27);1-11H,(H2,24,25,26,27);1-12H,(H2,20,21,22,23).

What are the key properties of (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?

(4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 1950.09 g/mol, XLogP of 21.10, 26 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (4-anilino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone;1-[5-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide;N-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;phenyl-[4-[3-(trifluoromethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 158588368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).