1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol

C64H63Br3N16O7S — CID 87963250

IUPAC1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol
SMILESCOc1ccccc1CNCC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.OC(CNc1nccs1)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C23H24BrN7O2.C23H23BrN4O3.C18H16BrN5O2S/c24-17-11-20-23(27-12-17)29-22(28-20)16-1-3-19(4-2-16)33-15-18(32)14-30-7-9-31(10-8-30)21-13-25-5-6-26-21;1-30-21-5-3-2-4-16(21)11-25-13-18(29)14-31-19-8-6-15(7-9-19)22-27-20-10-17(24)12-26-23(20)28-22;19-12-7-15-17(21-8-12)24-16(23-15)11-1-3-14(4-2-11)26-10-13(25)9-22-18-20-5-6-27-18/h1-6,11-13,18,32H,7-10,14-15H2,(H,27,28,29);2-10,12,18,25,29H,11,13-14H2,1H3,(H,26,27,28);1-8,13,25H,9-10H2,(H,20,22)(H,21,23,24)
InChIKeyZIGGSOQOKIHKFN-UHFFFAOYSA-N
MW1440.09 g/mol
LogP10.36
Rot. Bonds23

About 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol

1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol (PubChem CID 87963250) has the molecular formula C64H63Br3N16O7S and a molecular weight of 1440.09 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol
PubChem CID87963250
Molecular FormulaC64H63Br3N16O7S
Molecular Weight1440.09 g/mol
Exact Mass1436.23
IUPAC Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol
SMILESCOc1ccccc1CNCC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.OC(CNc1nccs1)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C23H24BrN7O2.C23H23BrN4O3.C18H16BrN5O2S/c24-17-11-20-23(27-12-17)29-22(28-20)16-1-3-19(4-2-16)33-15-18(32)14-30-7-9-31(10-8-30)21-13-25-5-6-26-21;1-30-21-5-3-2-4-16(21)11-25-13-18(29)14-31-19-8-6-15(7-9-19)22-27-20-10-17(24)12-26-23(20)28-22;19-12-7-15-17(21-8-12)24-16(23-15)11-1-3-14(4-2-11)26-10-13(25)9-22-18-20-5-6-27-18/h1-6,11-13,18,32H,7-10,14-15H2,(H,27,28,29);2-10,12,18,25,29H,11,13-14H2,1H3,(H,26,27,28);1-8,13,25H,9-10H2,(H,20,22)(H,21,23,24)
InChIKeyZIGGSOQOKIHKFN-UHFFFAOYSA-N
XLogP10.36
TPSA291.53 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001440.09
LogP ≤ 510.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol?
The IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol (CID 87963250) is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol is COc1ccccc1CNCC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.OC(CNc1nccs1)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol?
The InChIKey is ZIGGSOQOKIHKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN7O2.C23H23BrN4O3.C18H16BrN5O2S/c24-17-11-20-23(27-12-17)29-22(28-20)16-1-3-19(4-2-16)33-15-18(32)14-30-7-9-31(10-8-30)21-13-25-5-6-26-21;1-30-21-5-3-2-4-16(21)11-25-13-18(29)14-31-19-8-6-15(7-9-19)22-27-20-10-17(24)12-26-23(20)28-22;19-12-7-15-17(21-8-12)24-16(23-15)11-1-3-14(4-2-11)26-10-13(25)9-22-18-20-5-6-27-18/h1-6,11-13,18,32H,7-10,14-15H2,(H,27,28,29);2-10,12,18,25,29H,11,13-14H2,1H3,(H,26,27,28);1-8,13,25H,9-10H2,(H,20,22)(H,21,23,24).
What are the key properties of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol?
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol has a molecular weight of 1440.09 g/mol, XLogP of 10.36, 23 rotatable bonds, 8 hydrogen bond donors, and 21 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-[(2-methoxyphenyl)methylamino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(1,3-thiazol-2-ylamino)propan-2-ol is sourced from PubChem (CID 87963250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).