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

C19H21BrN4O2 — CID 10047562

IUPAC1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1
InChIInChI=1S/C19H21BrN4O2/c20-14-9-17-19(21-10-14)23-18(22-17)13-3-5-16(6-4-13)26-12-15(25)11-24-7-1-2-8-24/h3-6,9-10,15,25H,1-2,7-8,11-12H2,(H,21,22,23)
InChIKeyQTJYJMSQCUGYRB-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.22
Rot. Bonds6

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

1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 10047562) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID10047562
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESOC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1
InChIInChI=1S/C19H21BrN4O2/c20-14-9-17-19(21-10-14)23-18(22-17)13-3-5-16(6-4-13)26-12-15(25)11-24-7-1-2-8-24/h3-6,9-10,15,25H,1-2,7-8,11-12H2,(H,21,22,23)
InChIKeyQTJYJMSQCUGYRB-UHFFFAOYSA-N
XLogP3.22
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 10047562) is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1.
What is the InChIKey of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is QTJYJMSQCUGYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c20-14-9-17-19(21-10-14)23-18(22-17)13-3-5-16(6-4-13)26-12-15(25)11-24-7-1-2-8-24/h3-6,9-10,15,25H,1-2,7-8,11-12H2,(H,21,22,23).
What are the key properties of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 417.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 10047562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).