N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

C96H106Br2N28O8 — CID 157442874

About N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 157442874) has the molecular formula C96H106Br2N28O8 and a molecular weight of 1939.90 g/mol. Its IUPAC name is N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
• PubChem CID: 157442874
• Molecular Formula: C96H106Br2N28O8
• Molecular Weight: 1939.90 g/mol
• Exact Mass: 1936.71
• IUPAC Name: N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
• SMILES: CC(C)NCCC(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.CN(C)CC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.CNCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCCC(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1
• InChI: InChI=1S/C29H33N7O2.C26H27N7O2.C21H24BrN7O2.C20H22BrN7O2/c1-20(2)31-12-10-25(37)35-13-15-36(16-14-35)27-23(21-7-4-3-5-8-21)18-32-28-26(27)24(19-33-28)34-29(38)22-9-6-11-30-17-22;27-9-8-22(34)32-11-13-33(14-12-32)24-20(18-5-2-1-3-6-18)16-29-25-23(24)21(17-30-25)31-26(35)19-7-4-10-28-15-19;1-27(2)13-17(30)28-6-8-29(9-7-28)19-15(22)11-24-20-18(19)16(12-25-20)26-21(31)14-4-3-5-23-10-14;1-22-12-16(29)27-5-7-28(8-6-27)18-14(21)10-24-19-17(18)15(11-25-19)26-20(30)13-3-2-4-23-9-13/h3-9,11,17-20,31H,10,12-16H2,1-2H3,(H,32,33)(H,34,38);1-7,10,15-17H,8-9,11-14,27H2,(H,29,30)(H,31,35);3-5,10-12H,6-9,13H2,1-2H3,(H,24,25)(H,26,31);2-4,9-11,22H,5-8,12H2,1H3,(H,24,25)(H,26,30)
• InChIKey: BRWKLYVWXNKBSC-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 430.20 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1939.90
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (CID 157442874) is N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is CC(C)NCCC(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.CN(C)CC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.CNCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCCC(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.

What is the InChIKey of N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?

The InChIKey is BRWKLYVWXNKBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2.C26H27N7O2.C21H24BrN7O2.C20H22BrN7O2/c1-20(2)31-12-10-25(37)35-13-15-36(16-14-35)27-23(21-7-4-3-5-8-21)18-32-28-26(27)24(19-33-28)34-29(38)22-9-6-11-30-17-22;27-9-8-22(34)32-11-13-33(14-12-32)24-20(18-5-2-1-3-6-18)16-29-25-23(24)21(17-30-25)31-26(35)19-7-4-10-28-15-19;1-27(2)13-17(30)28-6-8-29(9-7-28)19-15(22)11-24-20-18(19)16(12-25-20)26-21(31)14-4-3-5-23-10-14;1-22-12-16(29)27-5-7-28(8-6-27)18-14(21)10-24-19-17(18)15(11-25-19)26-20(30)13-3-2-4-23-9-13/h3-9,11,17-20,31H,10,12-16H2,1-2H3,(H,32,33)(H,34,38);1-7,10,15-17H,8-9,11-14,27H2,(H,29,30)(H,31,35);3-5,10-12H,6-9,13H2,1-2H3,(H,24,25)(H,26,31);2-4,9-11,22H,5-8,12H2,1H3,(H,24,25)(H,26,30).

What are the key properties of N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?

N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 1939.90 g/mol, XLogP of 10.81, 24 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 157442874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).