1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C144H147BBrClF4N24O13 — CID 162251700

About 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 162251700) has the molecular formula C144H147BBrClF4N24O13 and a molecular weight of 2624.08 g/mol. Its IUPAC name is 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 162251700
• Molecular Formula: C144H147BBrClF4N24O13
• Molecular Weight: 2624.08 g/mol
• Exact Mass: 2621.05
• IUPAC Name: 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CCC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CC[C@@H](OC)C3)cc12.CCC(=O)c1cnc(N)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CC[C@@H](OC)C3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CC[C@@H](OC)C3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.CO[C@@H]1CCN(c2cc(-c3nccn3C)cc(F)c2Br)C1.O=C(Cl)C1CC1
• InChI: InChI=1S/C39H39FN6O2.C38H37FN6O3.C25H27FN6O2.C23H22BN3O4.C15H17BrFN3O.C4H5ClO/c1-4-35(47)31-22-42-39(46(23-26-11-7-5-8-12-26)24-27-13-9-6-10-14-27)37-30(31)21-33(43-37)36-32(40)19-28(38-41-16-18-44(38)2)20-34(36)45-17-15-29(25-45)48-3;1-43-17-15-40-36(43)27-18-31(39)34(33(19-27)44-16-14-28(24-44)47-2)32-20-29-30(38(46)48-3)21-41-37(35(29)42-32)45(22-25-10-6-4-7-11-25)23-26-12-8-5-9-13-26;1-4-21(33)17-12-29-24(27)23-16(17)11-19(30-23)22-18(26)9-14(25-28-6-8-31(25)2)10-20(22)32-7-5-15(13-32)34-3;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-19-6-4-18-15(19)10-7-12(17)14(16)13(8-10)20-5-3-11(9-20)21-2;5-4(6)3-1-2-3/h5-14,16,18-22,29,43H,4,15,17,23-25H2,1-3H3;4-13,15,17-21,28,42H,14,16,22-24H2,1-3H3;6,8-12,15,30H,4-5,7,13H2,1-3H3,(H2,27,29);2-13,26,29-30H,14-15H2,1H3;4,6-8,11H,3,5,9H2,1-2H3;3H,1-2H2/t29-;28-;15-;;11-;/m111.1./s1
• InChIKey: ZYBQMGJEJQLBKF-ITDGYMOASA-N
• XLogP: 25.56
• TPSA: 415.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 38
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2624.08
LogP ≤ 5	25.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 162251700) is 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CCC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CC[C@@H](OC)C3)cc12.CCC(=O)c1cnc(N)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CC[C@@H](OC)C3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3c(F)cc(-c4nccn4C)cc3N3CC[C@@H](OC)C3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.CO[C@@H]1CCN(c2cc(-c3nccn3C)cc(F)c2Br)C1.O=C(Cl)C1CC1.

What is the InChIKey of 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is ZYBQMGJEJQLBKF-ITDGYMOASA-N. The full InChI is InChI=1S/C39H39FN6O2.C38H37FN6O3.C25H27FN6O2.C23H22BN3O4.C15H17BrFN3O.C4H5ClO/c1-4-35(47)31-22-42-39(46(23-26-11-7-5-8-12-26)24-27-13-9-6-10-14-27)37-30(31)21-33(43-37)36-32(40)19-28(38-41-16-18-44(38)2)20-34(36)45-17-15-29(25-45)48-3;1-43-17-15-40-36(43)27-18-31(39)34(33(19-27)44-16-14-28(24-44)47-2)32-20-29-30(38(46)48-3)21-41-37(35(29)42-32)45(22-25-10-6-4-7-11-25)23-26-12-8-5-9-13-26;1-4-21(33)17-12-29-24(27)23-16(17)11-19(30-23)22-18(26)9-14(25-28-6-8-31(25)2)10-20(22)32-7-5-15(13-32)34-3;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-19-6-4-18-15(19)10-7-12(17)14(16)13(8-10)20-5-3-11(9-20)21-2;5-4(6)3-1-2-3/h5-14,16,18-22,29,43H,4,15,17,23-25H2,1-3H3;4-13,15,17-21,28,42H,14,16,22-24H2,1-3H3;6,8-12,15,30H,4-5,7,13H2,1-3H3,(H2,27,29);2-13,26,29-30H,14-15H2,1H3;4,6-8,11H,3,5,9H2,1-2H3;3H,1-2H2/t29-;28-;15-;;11-;/m111.1./s1.

What are the key properties of 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2624.08 g/mol, XLogP of 25.56, 38 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-amino-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;2-[4-bromo-3-fluoro-5-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-1-methylimidazole;cyclopropanecarbonyl chloride;1-[7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-4-yl]propan-1-one;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-2-[2-fluoro-6-[(3R)-3-methoxypyrrolidin-1-yl]-4-(1-methylimidazol-2-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 162251700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).