N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one

C174H153N33O17 — CID 158229763

About N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-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]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one (PubChem CID 158229763) has the molecular formula C174H153N33O17 and a molecular weight of 2978.35 g/mol. Its IUPAC name is N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one.

Molecular Properties

• Compound Name: N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one
• PubChem CID: 158229763
• Molecular Formula: C174H153N33O17
• Molecular Weight: 2978.35 g/mol
• Exact Mass: 2976.21
• IUPAC Name: N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one
• SMILES: CC(C)(C)OC(=O)NCc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1.CC(C)(C)OC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CCC(=O)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccc(C)cc4)c23)c1.CCOC(=O)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(Cc1ccccc1)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(NCC1CCCCC1)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1)c1ccccc1
• InChI: InChI=1S/C27H28N6O2.C27H20N4O2.C26H19N5O2.C25H25N5O3.C24H23N5O3.C23H20N4O2.C22H18N4O3/c34-24(19-10-5-2-6-11-19)22-16-28-25-23(22)26(31-17-30-25)32-20-12-7-13-21(14-20)33-27(35)29-15-18-8-3-1-4-9-18;32-23(14-18-8-3-1-4-9-18)20-12-7-13-21(15-20)31-27-24-22(16-28-26(24)29-17-30-27)25(33)19-10-5-2-6-11-19;32-23(17-8-3-1-4-9-17)21-15-27-24-22(21)25(29-16-28-24)30-19-12-7-13-20(14-19)31-26(33)18-10-5-2-6-11-18;1-25(2,3)33-24(32)27-13-16-9-11-18(12-10-16)30-23-20-19(14-26-22(20)28-15-29-23)21(31)17-7-5-4-6-8-17;1-24(2,3)32-23(31)29-17-11-7-10-16(12-17)28-22-19-18(13-25-21(19)26-14-27-22)20(30)15-8-5-4-6-9-15;1-3-19(28)16-5-4-6-17(11-16)27-23-20-18(12-24-22(20)25-13-26-23)21(29)15-9-7-14(2)8-10-15;1-2-29-22(28)15-9-6-10-16(11-15)26-21-18-17(12-23-20(18)24-13-25-21)19(27)14-7-4-3-5-8-14/h2,5-7,10-14,16-18H,1,3-4,8-9,15H2,(H2,29,33,35)(H2,28,30,31,32);1-13,15-17H,14H2,(H2,28,29,30,31);1-16H,(H,31,33)(H2,27,28,29,30);4-12,14-15H,13H2,1-3H3,(H,27,32)(H2,26,28,29,30);4-14H,1-3H3,(H,29,31)(H2,25,26,27,28);4-13H,3H2,1-2H3,(H2,24,25,26,27);3-13H,2H2,1H3,(H2,23,24,25,26)
• InChIKey: GEFRYHRLWAFTTM-UHFFFAOYSA-N
• XLogP: 35.36
• TPSA: 702.02 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 38
• Rotatable Bonds: 43
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2978.35
LogP ≤ 5	35.36
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one?

The IUPAC name of N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one (CID 158229763) is N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one.

What is the SMILES notation for N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one?

The canonical SMILES for N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one is CC(C)(C)OC(=O)NCc1ccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)cc1.CC(C)(C)OC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CCC(=O)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccc(C)cc4)c23)c1.CCOC(=O)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(Cc1ccccc1)c1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(NCC1CCCCC1)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1)c1ccccc1.

What is the InChIKey of N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one?

The InChIKey is GEFRYHRLWAFTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.C27H20N4O2.C26H19N5O2.C25H25N5O3.C24H23N5O3.C23H20N4O2.C22H18N4O3/c34-24(19-10-5-2-6-11-19)22-16-28-25-23(22)26(31-17-30-25)32-20-12-7-13-21(14-20)33-27(35)29-15-18-8-3-1-4-9-18;32-23(14-18-8-3-1-4-9-18)20-12-7-13-21(15-20)31-27-24-22(16-28-26(24)29-17-30-27)25(33)19-10-5-2-6-11-19;32-23(17-8-3-1-4-9-17)21-15-27-24-22(21)25(29-16-28-24)30-19-12-7-13-20(14-19)31-26(33)18-10-5-2-6-11-18;1-25(2,3)33-24(32)27-13-16-9-11-18(12-10-16)30-23-20-19(14-26-22(20)28-15-29-23)21(31)17-7-5-4-6-8-17;1-24(2,3)32-23(31)29-17-11-7-10-16(12-17)28-22-19-18(13-25-21(19)26-14-27-22)20(30)15-8-5-4-6-9-15;1-3-19(28)16-5-4-6-17(11-16)27-23-20-18(12-24-22(20)25-13-26-23)21(29)15-9-7-14(2)8-10-15;1-2-29-22(28)15-9-6-10-16(11-15)26-21-18-17(12-23-20(18)24-13-25-21)19(27)14-7-4-3-5-8-14/h2,5-7,10-14,16-18H,1,3-4,8-9,15H2,(H2,29,33,35)(H2,28,30,31,32);1-13,15-17H,14H2,(H2,28,29,30,31);1-16H,(H,31,33)(H2,27,28,29,30);4-12,14-15H,13H2,1-3H3,(H,27,32)(H2,26,28,29,30);4-14H,1-3H3,(H,29,31)(H2,25,26,27,28);4-13H,3H2,1-2H3,(H2,24,25,26,27);3-13H,2H2,1H3,(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]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-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]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one has a molecular weight of 2978.35 g/mol, XLogP of 35.36, 43 rotatable bonds, 19 hydrogen bond donors, and 38 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]benzamide;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-(cyclohexylmethyl)urea;1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-phenylethanone;tert-butyl N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]carbamate;tert-butyl N-[[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethyl 3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate;1-[3-[[5-(4-methylbenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]propan-1-one is sourced from PubChem (CID 158229763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).