N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane

C112H121Br6FN34O7 — CID 158227695

About N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane

N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane (PubChem CID 158227695) has the molecular formula C112H121Br6FN34O7 and a molecular weight of 2553.85 g/mol. Its IUPAC name is N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane.

Molecular Properties

• Compound Name: N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane
• PubChem CID: 158227695
• Molecular Formula: C112H121Br6FN34O7
• Molecular Weight: 2553.85 g/mol
• Exact Mass: 2546.52
• IUPAC Name: N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane
• SMILES: C.CC(C)(C)C(=O)Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](N)C3)c12.CNC1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.Cn1cc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)ccc1=O.NC1CN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4ccc(F)cc4)c23)C1.O=C(Nc1c[nH]c2ncc(Br)c(N3CCC(c4ccccn4)C3)c12)c1cccnc1
• InChI: InChI=1S/C22H19BrN6O.C19H19BrFN5O.C19H21BrN6O2.C18H19BrN6O.C17H24BrN5O.C16H15BrN6O.CH4/c23-16-11-26-21-19(18(12-27-21)28-22(30)14-4-3-7-24-10-14)20(16)29-9-6-15(13-29)17-5-1-2-8-25-17;20-14-8-23-18-16(17(14)26-7-1-2-13(22)10-26)15(9-24-18)25-19(27)11-3-5-12(21)6-4-11;1-25-9-11(4-5-15(25)27)19(28)24-14-8-23-18-16(14)17(13(20)7-22-18)26-6-2-3-12(21)10-26;1-20-12-4-6-25(10-12)16-13(19)8-22-17-15(16)14(9-23-17)24-18(26)11-3-2-5-21-7-11;1-17(2,3)16(24)22-12-8-21-15-13(12)14(11(18)7-20-15)23-6-4-5-10(19)9-23;17-11-5-20-15-13(14(11)23-7-10(18)8-23)12(6-21-15)22-16(24)9-2-1-3-19-4-9;/h1-5,7-8,10-12,15H,6,9,13H2,(H,26,27)(H,28,30);3-6,8-9,13H,1-2,7,10,22H2,(H,23,24)(H,25,27);4-5,7-9,12H,2-3,6,10,21H2,1H3,(H,22,23)(H,24,28);2-3,5,7-9,12,20H,4,6,10H2,1H3,(H,22,23)(H,24,26);7-8,10H,4-6,9,19H2,1-3H3,(H,20,21)(H,22,24);1-6,10H,7-8,18H2,(H,20,21)(H,22,24);1H4/t;13-;12-;;10-;;/m.11.1../s1
• InChIKey: GDZRKWARFZIPCU-SRNIWPHVSA-N
• XLogP: 18.97
• TPSA: 555.79 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2553.85
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane?

The IUPAC name of N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane (CID 158227695) is N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane.

What is the SMILES notation for N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane?

The canonical SMILES for N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane is C.CC(C)(C)C(=O)Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](N)C3)c12.CNC1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.Cn1cc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)ccc1=O.NC1CN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4ccc(F)cc4)c23)C1.O=C(Nc1c[nH]c2ncc(Br)c(N3CCC(c4ccccn4)C3)c12)c1cccnc1.

What is the InChIKey of N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane?

The InChIKey is GDZRKWARFZIPCU-SRNIWPHVSA-N. The full InChI is InChI=1S/C22H19BrN6O.C19H19BrFN5O.C19H21BrN6O2.C18H19BrN6O.C17H24BrN5O.C16H15BrN6O.CH4/c23-16-11-26-21-19(18(12-27-21)28-22(30)14-4-3-7-24-10-14)20(16)29-9-6-15(13-29)17-5-1-2-8-25-17;20-14-8-23-18-16(17(14)26-7-1-2-13(22)10-26)15(9-24-18)25-19(27)11-3-5-12(21)6-4-11;1-25-9-11(4-5-15(25)27)19(28)24-14-8-23-18-16(14)17(13(20)7-22-18)26-6-2-3-12(21)10-26;1-20-12-4-6-25(10-12)16-13(19)8-22-17-15(16)14(9-23-17)24-18(26)11-3-2-5-21-7-11;1-17(2,3)16(24)22-12-8-21-15-13(12)14(11(18)7-20-15)23-6-4-5-10(19)9-23;17-11-5-20-15-13(14(11)23-7-10(18)8-23)12(6-21-15)22-16(24)9-2-1-3-19-4-9;/h1-5,7-8,10-12,15H,6,9,13H2,(H,26,27)(H,28,30);3-6,8-9,13H,1-2,7,10,22H2,(H,23,24)(H,25,27);4-5,7-9,12H,2-3,6,10,21H2,1H3,(H,22,23)(H,24,28);2-3,5,7-9,12,20H,4,6,10H2,1H3,(H,22,23)(H,24,26);7-8,10H,4-6,9,19H2,1-3H3,(H,20,21)(H,22,24);1-6,10H,7-8,18H2,(H,20,21)(H,22,24);1H4/t;13-;12-;;10-;;/m.11.1../s1.

What are the key properties of N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane?

N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane has a molecular weight of 2553.85 g/mol, XLogP of 18.97, 19 rotatable bonds, 17 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-aminoazetidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-dimethylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide;N-[5-bromo-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;methane is sourced from PubChem (CID 158227695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).