N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone

C167H149BrN36O15 — CID 158588929

About N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone

N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone (PubChem CID 158588929) has the molecular formula C167H149BrN36O15 and a molecular weight of 2980.17 g/mol. Its IUPAC name is N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone.

Molecular Properties

• Compound Name: N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
• PubChem CID: 158588929
• Molecular Formula: C167H149BrN36O15
• Molecular Weight: 2980.17 g/mol
• Exact Mass: 2977.12
• IUPAC Name: N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
• SMILES: CC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CCC(=O)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CN(C)CCCCC(=O)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.NC(=O)CCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(CCCCN1CCCC1)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(Cc1cncc(Br)c1)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3cccc(CCO)c3)c12
• InChI: InChI=1S/C28H30N6O2.C26H19BrN6O2.C26H27N5O2.C23H20N6O3.C22H18N4O2.C21H17N5O2.C21H18N4O2/c35-24(13-4-5-14-34-15-6-7-16-34)32-21-11-8-12-22(17-21)33-28-25-23(18-29-27(25)30-19-31-28)26(36)20-9-2-1-3-10-20;27-18-9-16(12-28-13-18)10-22(34)32-19-7-4-8-20(11-19)33-26-23-21(14-29-25(23)30-15-31-26)24(35)17-5-2-1-3-6-17;1-31(2)14-7-6-13-22(32)19-11-8-12-20(15-19)30-26-23-21(16-27-25(23)28-17-29-26)24(33)18-9-4-3-5-10-18;24-18(30)9-10-19(31)28-15-7-4-8-16(11-15)29-23-20-17(12-25-22(20)26-13-27-23)21(32)14-5-2-1-3-6-14;1-2-18(27)15-9-6-10-16(11-15)26-22-19-17(12-23-21(19)24-13-25-22)20(28)14-7-4-3-5-8-14;1-13(27)25-15-8-5-9-16(10-15)26-21-18-17(11-22-20(18)23-12-24-21)19(28)14-6-3-2-4-7-14;26-10-9-14-5-4-8-16(11-14)25-21-18-17(12-22-20(18)23-13-24-21)19(27)15-6-2-1-3-7-15/h1-3,8-12,17-19H,4-7,13-16H2,(H,32,35)(H2,29,30,31,33);1-9,11-15H,10H2,(H,32,34)(H2,29,30,31,33);3-5,8-12,15-17H,6-7,13-14H2,1-2H3,(H2,27,28,29,30);1-8,11-13H,9-10H2,(H2,24,30)(H,28,31)(H2,25,26,27,29);3-13H,2H2,1H3,(H2,23,24,25,26);2-12H,1H3,(H,25,27)(H2,22,23,24,26);1-8,11-13,26H,9-10H2,(H2,22,23,24,25)
• InChIKey: HUEQBGJHMWSBLW-UHFFFAOYSA-N
• XLogP: 30.28
• TPSA: 727.92 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 39
• Rotatable Bonds: 52
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2980.17
LogP ≤ 5	30.28
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone?

The IUPAC name of N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone (CID 158588929) is N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone.

What is the SMILES notation for N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone?

The canonical SMILES for N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone is CC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CCC(=O)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CN(C)CCCCC(=O)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.NC(=O)CCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(CCCCN1CCCC1)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(Cc1cncc(Br)c1)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3cccc(CCO)c3)c12.

What is the InChIKey of N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone?

The InChIKey is HUEQBGJHMWSBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2.C26H19BrN6O2.C26H27N5O2.C23H20N6O3.C22H18N4O2.C21H17N5O2.C21H18N4O2/c35-24(13-4-5-14-34-15-6-7-16-34)32-21-11-8-12-22(17-21)33-28-25-23(18-29-27(25)30-19-31-28)26(36)20-9-2-1-3-10-20;27-18-9-16(12-28-13-18)10-22(34)32-19-7-4-8-20(11-19)33-26-23-21(14-29-25(23)30-15-31-26)24(35)17-5-2-1-3-6-17;1-31(2)14-7-6-13-22(32)19-11-8-12-20(15-19)30-26-23-21(16-27-25(23)28-17-29-26)24(33)18-9-4-3-5-10-18;24-18(30)9-10-19(31)28-15-7-4-8-16(11-15)29-23-20-17(12-25-22(20)26-13-27-23)21(32)14-5-2-1-3-6-14;1-2-18(27)15-9-6-10-16(11-15)26-22-19-17(12-23-21(19)24-13-25-22)20(28)14-7-4-3-5-8-14;1-13(27)25-15-8-5-9-16(10-15)26-21-18-17(11-22-20(18)23-12-24-21)19(28)14-6-3-2-4-7-14;26-10-9-14-5-4-8-16(11-14)25-21-18-17(12-22-20(18)23-13-24-21)19(27)15-6-2-1-3-7-15/h1-3,8-12,17-19H,4-7,13-16H2,(H,32,35)(H2,29,30,31,33);1-9,11-15H,10H2,(H,32,34)(H2,29,30,31,33);3-5,8-12,15-17H,6-7,13-14H2,1-2H3,(H2,27,28,29,30);1-8,11-13H,9-10H2,(H2,24,30)(H,28,31)(H2,25,26,27,29);3-13H,2H2,1H3,(H2,23,24,25,26);2-12H,1H3,(H,25,27)(H2,22,23,24,26);1-8,11-13,26H,9-10H2,(H2,22,23,24,25).

What are the key properties of N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone?

N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone has a molecular weight of 2980.17 g/mol, XLogP of 30.28, 52 rotatable bonds, 20 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(5-bromo-3-pyridinyl)acetamide;N'-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]butanediamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-(dimethylamino)pentan-1-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-1-one;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-pyrrolidin-1-ylpentanamide;[4-[3-(2-hydroxyethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone is sourced from PubChem (CID 158588929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).