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

C20H23BrN4O2 — CID 10365437

IUPAC1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESOC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCCC1
InChIInChI=1S/C20H23BrN4O2/c21-15-10-18-20(22-11-15)24-19(23-18)14-4-6-17(7-5-14)27-13-16(26)12-25-8-2-1-3-9-25/h4-7,10-11,16,26H,1-3,8-9,12-13H2,(H,22,23,24)
InChIKeyCEFDJXPPCNJATN-UHFFFAOYSA-N
MW431.33 g/mol
LogP3.61
Rot. Bonds6

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

1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 10365437) has the molecular formula C20H23BrN4O2 and a molecular weight of 431.33 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID10365437
Molecular FormulaC20H23BrN4O2
Molecular Weight431.33 g/mol
Exact Mass430.10
IUPAC Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESOC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCCC1
InChIInChI=1S/C20H23BrN4O2/c21-15-10-18-20(22-11-15)24-19(23-18)14-4-6-17(7-5-14)27-13-16(26)12-25-8-2-1-3-9-25/h4-7,10-11,16,26H,1-3,8-9,12-13H2,(H,22,23,24)
InChIKeyCEFDJXPPCNJATN-UHFFFAOYSA-N
XLogP3.61
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 53.61
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-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol (CID 10365437) is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol is OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCCC1.
What is the InChIKey of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is CEFDJXPPCNJATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O2/c21-15-10-18-20(22-11-15)24-19(23-18)14-4-6-17(7-5-14)27-13-16(26)12-25-8-2-1-3-9-25/h4-7,10-11,16,26H,1-3,8-9,12-13H2,(H,22,23,24).
What are the key properties of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol?
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 431.33 g/mol, XLogP of 3.61, 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-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 10365437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).