1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol

C62H73Br3N14O8 — CID 87963776

About 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol

1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol (PubChem CID 87963776) has the molecular formula C62H73Br3N14O8 and a molecular weight of 1382.07 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol
• PubChem CID: 87963776
• Molecular Formula: C62H73Br3N14O8
• Molecular Weight: 1382.07 g/mol
• Exact Mass: 1378.33
• IUPAC Name: 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol
• SMILES: CC(=O)N1CCN(CC(O)COc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.CN(C)C1CCN(CC(O)COc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1.OC1CCN(CC(O)COc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1
• InChI: InChI=1S/C21H24BrN5O3.C21H26BrN5O2.C20H23BrN4O3/c1-14(28)27-8-6-26(7-9-27)12-17(29)13-30-18-4-2-15(3-5-18)20-24-19-10-16(22)11-23-21(19)25-20;1-26(2)16-7-8-27(11-16)12-17(28)13-29-18-5-3-14(4-6-18)20-24-19-9-15(22)10-23-21(19)25-20;21-14-9-18-20(22-10-14)24-19(23-18)13-1-3-17(4-2-13)28-12-16(27)11-25-7-5-15(26)6-8-25/h2-5,10-11,17,29H,6-9,12-13H2,1H3,(H,23,24,25);3-6,9-10,16-17,28H,7-8,11-13H2,1-2H3,(H,23,24,25);1-4,9-10,15-16,26-27H,5-8,11-12H2,(H,22,23,24)
• InChIKey: WDAOSTQOXSZEPK-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 266.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1382.07
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol?

The IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol (CID 87963776) is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol.

What is the SMILES notation for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol?

The canonical SMILES for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol is CC(=O)N1CCN(CC(O)COc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.CN(C)C1CCN(CC(O)COc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1.OC1CCN(CC(O)COc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)CC1.

What is the InChIKey of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol?

The InChIKey is WDAOSTQOXSZEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O3.C21H26BrN5O2.C20H23BrN4O3/c1-14(28)27-8-6-26(7-9-27)12-17(29)13-30-18-4-2-15(3-5-18)20-24-19-10-16(22)11-23-21(19)25-20;1-26(2)16-7-8-27(11-16)12-17(28)13-29-18-5-3-14(4-6-18)20-24-19-9-15(22)10-23-21(19)25-20;21-14-9-18-20(22-10-14)24-19(23-18)13-1-3-17(4-2-13)28-12-16(27)11-25-7-5-15(26)6-8-25/h2-5,10-11,17,29H,6-9,12-13H2,1H3,(H,23,24,25);3-6,9-10,16-17,28H,7-8,11-13H2,1-2H3,(H,23,24,25);1-4,9-10,15-16,26-27H,5-8,11-12H2,(H,22,23,24).

What are the key properties of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol?

1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol has a molecular weight of 1382.07 g/mol, XLogP of 7.64, 19 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol;1-[4-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperazin-1-yl]ethanone;1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]piperidin-4-ol is sourced from PubChem (CID 87963776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).