2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C125H122BBr3ClF5N14O13 — CID 159867109

About 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 159867109) has the molecular formula C125H122BBr3ClF5N14O13 and a molecular weight of 2409.40 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 159867109
• Molecular Formula: C125H122BBr3ClF5N14O13
• Molecular Weight: 2409.40 g/mol
• Exact Mass: 2404.66
• IUPAC Name: 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CC(C)(N)CO.CC1(C)COC(c2cccc(Br)c2F)=N1.CC1(C)COC(c2cccc(Br)c2F)=N1.CCC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(C4=NC(C)(C)CO4)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(C4=NC(C)(C)CO4)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.O=C(Cl)c1cccc(Br)c1F
• InChI: InChI=1S/C35H33FN4O2.C34H31FN4O3.C23H22BN3O4.2C11H11BrFNO.C7H3BrClFO.C4H11NO/c1-4-30(41)28-19-37-33(40(20-23-12-7-5-8-13-23)21-24-14-9-6-10-15-24)32-27(28)18-29(38-32)25-16-11-17-26(31(25)36)34-39-35(2,3)22-42-34;1-34(2)21-42-32(38-34)25-16-10-15-24(29(25)35)28-17-26-27(33(40)41-3)18-36-31(30(26)37-28)39(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23;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;2*1-11(2)6-15-10(14-11)7-4-3-5-8(12)9(7)13;8-5-3-1-2-4(6(5)10)7(9)11;1-4(2,5)3-6/h5-19,38H,4,20-22H2,1-3H3;4-18,37H,19-21H2,1-3H3;2-13,26,29-30H,14-15H2,1H3;2*3-5H,6H2,1-2H3;1-3H;6H,3,5H2,1-2H3
• InChIKey: NRWGMLDJDXGHLF-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 355.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2409.40
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

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 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 159867109) is 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CC(C)(N)CO.CC1(C)COC(c2cccc(Br)c2F)=N1.CC1(C)COC(c2cccc(Br)c2F)=N1.CCC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(C4=NC(C)(C)CO4)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3cccc(C4=NC(C)(C)CO4)c3F)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.O=C(Cl)c1cccc(Br)c1F.

What is the InChIKey of 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is NRWGMLDJDXGHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN4O2.C34H31FN4O3.C23H22BN3O4.2C11H11BrFNO.C7H3BrClFO.C4H11NO/c1-4-30(41)28-19-37-33(40(20-23-12-7-5-8-13-23)21-24-14-9-6-10-15-24)32-27(28)18-29(38-32)25-16-11-17-26(31(25)36)34-39-35(2,3)22-42-34;1-34(2)21-42-32(38-34)25-16-10-15-24(29(25)35)28-17-26-27(33(40)41-3)18-36-31(30(26)37-28)39(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23;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;2*1-11(2)6-15-10(14-11)7-4-3-5-8(12)9(7)13;8-5-3-1-2-4(6(5)10)7(9)11;1-4(2,5)3-6/h5-19,38H,4,20-22H2,1-3H3;4-18,37H,19-21H2,1-3H3;2-13,26,29-30H,14-15H2,1H3;2*3-5H,6H2,1-2H3;1-3H;6H,3,5H2,1-2H3.

What are the key properties of 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2409.40 g/mol, XLogP of 25.85, 28 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methylpropan-1-ol;3-bromo-2-fluorobenzoyl chloride;bis(2-(3-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole);1-[7-(dibenzylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-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-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 159867109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).