1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C24H25BrN6O2 — CID 10369026

IUPAC1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H25BrN6O2/c25-18-13-21-24(27-14-18)29-23(28-21)17-4-6-20(7-5-17)33-16-19(32)15-30-9-11-31(12-10-30)22-3-1-2-8-26-22/h1-8,13-14,19,32H,9-12,15-16H2,(H,27,28,29)
InChIKeyGGSSNJUKJOAUPB-UHFFFAOYSA-N
MW509.41 g/mol
LogP3.34
Rot. Bonds7

About 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 10369026) has the molecular formula C24H25BrN6O2 and a molecular weight of 509.41 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID10369026
Molecular FormulaC24H25BrN6O2
Molecular Weight509.41 g/mol
Exact Mass508.12
IUPAC Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H25BrN6O2/c25-18-13-21-24(27-14-18)29-23(28-21)17-4-6-20(7-5-17)33-16-19(32)15-30-9-11-31(12-10-30)22-3-1-2-8-26-22/h1-8,13-14,19,32H,9-12,15-16H2,(H,27,28,29)
InChIKeyGGSSNJUKJOAUPB-UHFFFAOYSA-N
XLogP3.34
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 10369026) is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is GGSSNJUKJOAUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN6O2/c25-18-13-21-24(27-14-18)29-23(28-21)17-4-6-20(7-5-17)33-16-19(32)15-30-9-11-31(12-10-30)22-3-1-2-8-26-22/h1-8,13-14,19,32H,9-12,15-16H2,(H,27,28,29).
What are the key properties of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 509.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 10369026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).