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

C19H21BrN4O3 — CID 10410604

IUPAC1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol
SMILESOC1CCN(CC(O)COc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1
InChIInChI=1S/C19H21BrN4O3/c20-13-7-17-19(21-8-13)23-18(22-17)12-1-3-16(4-2-12)27-11-15(26)10-24-6-5-14(25)9-24/h1-4,7-8,14-15,25-26H,5-6,9-11H2,(H,21,22,23)
InChIKeyYFWLOOOZFUSXRK-UHFFFAOYSA-N
MW433.31 g/mol
LogP2.19
Rot. Bonds6

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

1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol (PubChem CID 10410604) has the molecular formula C19H21BrN4O3 and a molecular weight of 433.31 g/mol. Its IUPAC name is 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol
PubChem CID10410604
Molecular FormulaC19H21BrN4O3
Molecular Weight433.31 g/mol
Exact Mass432.08
IUPAC Name1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol
SMILESOC1CCN(CC(O)COc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1
InChIInChI=1S/C19H21BrN4O3/c20-13-7-17-19(21-8-13)23-18(22-17)12-1-3-16(4-2-12)27-11-15(26)10-24-6-5-14(25)9-24/h1-4,7-8,14-15,25-26H,5-6,9-11H2,(H,21,22,23)
InChIKeyYFWLOOOZFUSXRK-UHFFFAOYSA-N
XLogP2.19
TPSA94.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol (CID 10410604) is 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol is OC1CCN(CC(O)COc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1.
What is the InChIKey of 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol?
The InChIKey is YFWLOOOZFUSXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O3/c20-13-7-17-19(21-8-13)23-18(22-17)12-1-3-16(4-2-12)27-11-15(26)10-24-6-5-14(25)9-24/h1-4,7-8,14-15,25-26H,5-6,9-11H2,(H,21,22,23).
What are the key properties of 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol?
1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol has a molecular weight of 433.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]pyrrolidin-3-ol is sourced from PubChem (CID 10410604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).