7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine

C104H96BBr3F10N22O13 — CID 162082229

About 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine

7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine (PubChem CID 162082229) has the molecular formula C104H96BBr3F10N22O13 and a molecular weight of 2302.56 g/mol. Its IUPAC name is 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine.

Molecular Properties

• Compound Name: 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine
• PubChem CID: 162082229
• Molecular Formula: C104H96BBr3F10N22O13
• Molecular Weight: 2302.56 g/mol
• Exact Mass: 2298.50
• IUPAC Name: 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine
• SMILES: CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(C(=O)N4CC(F)(F)C4)cn3)cc12.CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3ccc(C(=O)N4CC(F)(F)C4)cn3)cc12.FC1(F)CNC1.O=C(O)C1CC1.O=C(O)c1ccc(Br)nc1.O=C(c1ccc(Br)nc1)N1CC(F)(F)C1.O=C(c1ccc(Br)nc1)N1CC(F)(F)C1
• InChI: InChI=1S/C32H28F2N6O2.C23H23BN4O3.C18H16F2N6O2.2C9H7BrF2N2O.C6H4BrNO2.C4H6O2.C3H5F2N/c1-35-30(41)25-16-37-29(39(17-21-8-4-2-5-9-21)18-22-10-6-3-7-11-22)28-24(25)14-27(38-28)26-13-12-23(15-36-26)31(42)40-19-32(33,34)20-40;1-25-23(29)19-13-26-22(21-18(19)12-20(27-21)24(30)31)28(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-22-16(27)11-6-24-15(21)14-10(11)4-13(25-14)12-3-2-9(5-23-12)17(28)26-7-18(19,20)8-26;2*10-7-2-1-6(3-13-7)8(15)14-4-9(11,12)5-14;7-5-2-1-4(3-8-5)6(9)10;5-4(6)3-1-2-3;4-3(5)1-6-2-3/h2-16,38H,17-20H2,1H3,(H,35,41);2-13,27,30-31H,14-15H2,1H3,(H,25,29);2-6,25H,7-8H2,1H3,(H2,21,24)(H,22,27);2*1-3H,4-5H2;1-3H,(H,9,10);3H,1-2H2,(H,5,6);6H,1-2H2
• InChIKey: ZCMJYPYHDMFPOJ-UHFFFAOYSA-N
• XLogP: 14.87
• TPSA: 478.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2302.56
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine?

The IUPAC name of 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine (CID 162082229) is 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine.

What is the SMILES notation for 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine?

The canonical SMILES for 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(C(=O)N4CC(F)(F)C4)cn3)cc12.CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.CNC(=O)c1cnc(N)c2[nH]c(-c3ccc(C(=O)N4CC(F)(F)C4)cn3)cc12.FC1(F)CNC1.O=C(O)C1CC1.O=C(O)c1ccc(Br)nc1.O=C(c1ccc(Br)nc1)N1CC(F)(F)C1.O=C(c1ccc(Br)nc1)N1CC(F)(F)C1.

What is the InChIKey of 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine?

The InChIKey is ZCMJYPYHDMFPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N6O2.C23H23BN4O3.C18H16F2N6O2.2C9H7BrF2N2O.C6H4BrNO2.C4H6O2.C3H5F2N/c1-35-30(41)25-16-37-29(39(17-21-8-4-2-5-9-21)18-22-10-6-3-7-11-22)28-24(25)14-27(38-28)26-13-12-23(15-36-26)31(42)40-19-32(33,34)20-40;1-25-23(29)19-13-26-22(21-18(19)12-20(27-21)24(30)31)28(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-22-16(27)11-6-24-15(21)14-10(11)4-13(25-14)12-3-2-9(5-23-12)17(28)26-7-18(19,20)8-26;2*10-7-2-1-6(3-13-7)8(15)14-4-9(11,12)5-14;7-5-2-1-4(3-8-5)6(9)10;5-4(6)3-1-2-3;4-3(5)1-6-2-3/h2-16,38H,17-20H2,1H3,(H,35,41);2-13,27,30-31H,14-15H2,1H3,(H,25,29);2-6,25H,7-8H2,1H3,(H2,21,24)(H,22,27);2*1-3H,4-5H2;1-3H,(H,9,10);3H,1-2H2,(H,5,6);6H,1-2H2.

What are the key properties of 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine?

7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine has a molecular weight of 2302.56 g/mol, XLogP of 14.87, 22 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;6-bromopyridine-3-carboxylic acid;bis((6-bromo-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone);cyclopropanecarboxylic acid;7-(dibenzylamino)-2-[5-(3,3-difluoroazetidine-1-carbonyl)-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3,3-difluoroazetidine is sourced from PubChem (CID 162082229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).