3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol

C57H61Br3N12O7 — CID 87963633

About 3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol

3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 87963633) has the molecular formula C57H61Br3N12O7 and a molecular weight of 1265.90 g/mol. Its IUPAC name is 3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: 3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
• PubChem CID: 87963633
• Molecular Formula: C57H61Br3N12O7
• Molecular Weight: 1265.90 g/mol
• Exact Mass: 1262.23
• IUPAC Name: 3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
• SMILES: OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1C(C(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)N1CCCC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCOCC1
• InChI: InChI=1S/C38H40Br2N8O4.C19H21BrN4O3/c39-25-16-30-37(41-18-25)45-35(43-30)23-5-9-28(10-6-23)51-21-27(49)20-48-15-3-4-32(48)34(47-13-1-2-14-47)33(50)22-52-29-11-7-24(8-12-29)36-44-31-17-26(40)19-42-38(31)46-36;20-14-9-17-19(21-10-14)23-18(22-17)13-1-3-16(4-2-13)27-12-15(25)11-24-5-7-26-8-6-24/h5-12,16-19,27,32-34,49-50H,1-4,13-15,20-22H2,(H,41,43,45)(H,42,44,46);1-4,9-10,15,25H,5-8,11-12H2,(H,21,22,23)
• InChIKey: HVUCDGYFGHALMH-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 232.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1265.90
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 87963633) is 3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol.

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

The canonical SMILES for 3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol is OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1C(C(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)N1CCCC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCOCC1.

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

The InChIKey is HVUCDGYFGHALMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40Br2N8O4.C19H21BrN4O3/c39-25-16-30-37(41-18-25)45-35(43-30)23-5-9-28(10-6-23)51-21-27(49)20-48-15-3-4-32(48)34(47-13-1-2-14-47)33(50)22-52-29-11-7-24(8-12-29)36-44-31-17-26(40)19-42-38(31)46-36;20-14-9-17-19(21-10-14)23-18(22-17)13-1-3-16(4-2-13)27-12-15(25)11-24-5-7-26-8-6-24/h5-12,16-19,27,32-34,49-50H,1-4,13-15,20-22H2,(H,41,43,45)(H,42,44,46);1-4,9-10,15,25H,5-8,11-12H2,(H,21,22,23).

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

3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 1265.90 g/mol, XLogP of 8.66, 19 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-1-[1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-2-yl]-1-pyrrolidin-1-ylpropan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 87963633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).