N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide

C156H142N28O13 — CID 158422459

About N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-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]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 158422459) has the molecular formula C156H142N28O13 and a molecular weight of 2617.03 g/mol. Its IUPAC name is N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
• PubChem CID: 158422459
• Molecular Formula: C156H142N28O13
• Molecular Weight: 2617.03 g/mol
• Exact Mass: 2615.13
• IUPAC Name: N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
• SMILES: CC(=O)Cc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1.CC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4C)c23)c1.CC(C)CCCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CC(C)OCCCC(=O)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(CCCc1ccccc1)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3ccc(CC(=O)C4CCN(c5ccncc5)CC4)cc3)c12
• InChI: InChI=1S/C31H28N6O2.C29H24N4O2.C26H27N5O2.C26H26N4O3.C22H19N5O2.C22H18N4O2/c38-27(22-12-16-37(17-13-22)25-10-14-32-15-11-25)18-21-6-8-24(9-7-21)36-31-28-26(19-33-30(28)34-20-35-31)29(39)23-4-2-1-3-5-23;34-25(16-7-11-20-9-3-1-4-10-20)22-14-8-15-23(17-22)33-29-26-24(18-30-28(26)31-19-32-29)27(35)21-12-5-2-6-13-21;1-17(2)8-6-13-22(32)30-19-11-7-12-20(14-19)31-26-23-21(15-27-25(23)28-16-29-26)24(33)18-9-4-3-5-10-18;1-17(2)33-13-7-12-22(31)19-10-6-11-20(14-19)30-26-23-21(15-27-25(23)28-16-29-26)24(32)18-8-4-3-5-9-18;1-13-6-3-4-9-17(13)20(29)18-11-23-21-19(18)22(25-12-24-21)27-16-8-5-7-15(10-16)26-14(2)28;1-14(27)11-15-7-9-17(10-8-15)26-22-19-18(12-23-21(19)24-13-25-22)20(28)16-5-3-2-4-6-16/h1-11,14-15,19-20,22H,12-13,16-18H2,(H2,33,34,35,36);1-6,8-10,12-15,17-19H,7,11,16H2,(H2,30,31,32,33);3-5,7,9-12,14-17H,6,8,13H2,1-2H3,(H,30,32)(H2,27,28,29,31);3-6,8-11,14-17H,7,12-13H2,1-2H3,(H2,27,28,29,30);3-12H,1-2H3,(H,26,28)(H2,23,24,25,27);2-10,12-13H,11H2,1H3,(H2,23,24,25,26)
• InChIKey: HAQNPVJVICWHPJ-UHFFFAOYSA-N
• XLogP: 30.77
• TPSA: 575.86 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 47
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2617.03
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	33

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]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?

The IUPAC name of N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide (CID 158422459) is N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide.

What is the SMILES notation for N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?

The canonical SMILES for N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Cc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1.CC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4C)c23)c1.CC(C)CCCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CC(C)OCCCC(=O)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(CCCc1ccccc1)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3ccc(CC(=O)C4CCN(c5ccncc5)CC4)cc3)c12.

What is the InChIKey of N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?

The InChIKey is HAQNPVJVICWHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O2.C29H24N4O2.C26H27N5O2.C26H26N4O3.C22H19N5O2.C22H18N4O2/c38-27(22-12-16-37(17-13-22)25-10-14-32-15-11-25)18-21-6-8-24(9-7-21)36-31-28-26(19-33-30(28)34-20-35-31)29(39)23-4-2-1-3-5-23;34-25(16-7-11-20-9-3-1-4-10-20)22-14-8-15-23(17-22)33-29-26-24(18-30-28(26)31-19-32-29)27(35)21-12-5-2-6-13-21;1-17(2)8-6-13-22(32)30-19-11-7-12-20(14-19)31-26-23-21(15-27-25(23)28-16-29-26)24(33)18-9-4-3-5-10-18;1-17(2)33-13-7-12-22(31)19-10-6-11-20(14-19)30-26-23-21(15-27-25(23)28-16-29-26)24(32)18-8-4-3-5-9-18;1-13-6-3-4-9-17(13)20(29)18-11-23-21-19(18)22(25-12-24-21)27-16-8-5-7-15(10-16)26-14(2)28;1-14(27)11-15-7-9-17(10-8-15)26-22-19-18(12-23-21(19)24-13-25-22)20(28)16-5-3-2-4-6-16/h1-11,14-15,19-20,22H,12-13,16-18H2,(H2,33,34,35,36);1-6,8-10,12-15,17-19H,7,11,16H2,(H2,30,31,32,33);3-5,7,9-12,14-17H,6,8,13H2,1-2H3,(H,30,32)(H2,27,28,29,31);3-6,8-11,14-17H,7,12-13H2,1-2H3,(H2,27,28,29,30);3-12H,1-2H3,(H,26,28)(H2,23,24,25,27);2-10,12-13H,11H2,1H3,(H2,23,24,25,26).

What are the key properties of N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-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]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 2617.03 g/mol, XLogP of 30.77, 47 rotatable bonds, 14 hydrogen bond donors, and 33 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]-5-methylhexanamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-phenylbutan-1-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propan-2-one;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-propan-2-yloxybutan-1-one;2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-1-(1-pyridin-4-ylpiperidin-4-yl)ethanone;N-[3-[[5-(2-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 158422459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).