ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine

C61H60BrF2N17O7 — CID 161356871

About ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine

ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine (PubChem CID 161356871) has the molecular formula C61H60BrF2N17O7 and a molecular weight of 1261.16 g/mol. Its IUPAC name is ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine
• PubChem CID: 161356871
• Molecular Formula: C61H60BrF2N17O7
• Molecular Weight: 1261.16 g/mol
• Exact Mass: 1259.40
• IUPAC Name: ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine
• SMILES: C1=Nc2cccnc2C1.CCOC(=O)CBr.CCOC(=O)Cn1cnc2cccnc21.Fc1ccc(-n2ncc3c2CCCN3)cc1.O=C(Cn1cnc2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(O)Cn1cnc2cccnc21
• InChI: InChI=1S/C20H17FN6O.C12H12FN3.C10H11N3O2.C8H7N3O2.C7H6N2.C4H7BrO2/c21-14-5-7-15(8-6-14)27-17-4-2-10-26(18(17)11-24-27)19(28)12-25-13-23-16-3-1-9-22-20(16)25;13-9-3-5-10(6-4-9)16-12-2-1-7-14-11(12)8-15-16;1-2-15-9(14)6-13-7-12-8-4-3-5-11-10(8)13;12-7(13)4-11-5-10-6-2-1-3-9-8(6)11;1-2-6-7(8-4-1)3-5-9-6;1-2-7-4(6)3-5/h1,3,5-9,11,13H,2,4,10,12H2;3-6,8,14H,1-2,7H2;3-5,7H,2,6H2,1H3;1-3,5H,4H2,(H,12,13);1-2,4-5H,3H2;2-3H2,1H3
• InChIKey: VOQVVEIJDOKBKA-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 275.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1261.16
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine?

The IUPAC name of ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine (CID 161356871) is ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine.

What is the SMILES notation for ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine?

The canonical SMILES for ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine is C1=Nc2cccnc2C1.CCOC(=O)CBr.CCOC(=O)Cn1cnc2cccnc21.Fc1ccc(-n2ncc3c2CCCN3)cc1.O=C(Cn1cnc2cccnc21)N1CCCc2c1cnn2-c1ccc(F)cc1.O=C(O)Cn1cnc2cccnc21.

What is the InChIKey of ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine?

The InChIKey is VOQVVEIJDOKBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O.C12H12FN3.C10H11N3O2.C8H7N3O2.C7H6N2.C4H7BrO2/c21-14-5-7-15(8-6-14)27-17-4-2-10-26(18(17)11-24-27)19(28)12-25-13-23-16-3-1-9-22-20(16)25;13-9-3-5-10(6-4-9)16-12-2-1-7-14-11(12)8-15-16;1-2-15-9(14)6-13-7-12-8-4-3-5-11-10(8)13;12-7(13)4-11-5-10-6-2-1-3-9-8(6)11;1-2-6-7(8-4-1)3-5-9-6;1-2-7-4(6)3-5/h1,3,5-9,11,13H,2,4,10,12H2;3-6,8,14H,1-2,7H2;3-5,7H,2,6H2,1H3;1-3,5H,4H2,(H,12,13);1-2,4-5H,3H2;2-3H2,1H3.

What are the key properties of ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine?

ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine has a molecular weight of 1261.16 g/mol, XLogP of 8.90, 11 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-bromoacetate;ethyl 2-imidazo[4,5-b]pyridin-3-ylacetate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;2-imidazo[4,5-b]pyridin-3-ylacetic acid;3H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 161356871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).