6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one

C19H23BrFN3O2 — CID 67078522

IUPAC6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one
SMILESO=c1n(CC(F)C2CCOCC2)c2cc(Br)cnc2n1C1=CCCCC1
InChIInChI=1S/C19H23BrFN3O2/c20-14-10-17-18(22-11-14)24(15-4-2-1-3-5-15)19(25)23(17)12-16(21)13-6-8-26-9-7-13/h4,10-11,13,16H,1-3,5-9,12H2
InChIKeyMTULSBDGNYIVNN-UHFFFAOYSA-N
MW424.31 g/mol
LogP4.14
Rot. Bonds4

About 6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one

6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 67078522) has the molecular formula C19H23BrFN3O2 and a molecular weight of 424.31 g/mol. Its IUPAC name is 6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one
PubChem CID67078522
Molecular FormulaC19H23BrFN3O2
Molecular Weight424.31 g/mol
Exact Mass423.10
IUPAC Name6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one
SMILESO=c1n(CC(F)C2CCOCC2)c2cc(Br)cnc2n1C1=CCCCC1
InChIInChI=1S/C19H23BrFN3O2/c20-14-10-17-18(22-11-14)24(15-4-2-1-3-5-15)19(25)23(17)12-16(21)13-6-8-26-9-7-13/h4,10-11,13,16H,1-3,5-9,12H2
InChIKeyMTULSBDGNYIVNN-UHFFFAOYSA-N
XLogP4.14
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one (CID 67078522) is 6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one is O=c1n(CC(F)C2CCOCC2)c2cc(Br)cnc2n1C1=CCCCC1.
What is the InChIKey of 6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is MTULSBDGNYIVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrFN3O2/c20-14-10-17-18(22-11-14)24(15-4-2-1-3-5-15)19(25)23(17)12-16(21)13-6-8-26-9-7-13/h4,10-11,13,16H,1-3,5-9,12H2.
What are the key properties of 6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one?
6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 424.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(cyclohexen-1-yl)-1-[2-fluoro-2-(oxan-4-yl)ethyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67078522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).