5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one

C18H16FN5O2 — CID 54767532

IUPAC5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ccc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1
InChIInChI=1S/C18H16FN5O2/c19-11-1-4-16-20-9-15(23(16)10-11)13-2-3-14-17(21-13)24(18(25)22-14)12-5-7-26-8-6-12/h1-4,9-10,12H,5-8H2,(H,22,25)
InChIKeyWFKKOBICKPLPIR-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.53
Rot. Bonds2

About 5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one

5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 54767532) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID54767532
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ccc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1
InChIInChI=1S/C18H16FN5O2/c19-11-1-4-16-20-9-15(23(16)10-11)13-2-3-14-17(21-13)24(18(25)22-14)12-5-7-26-8-6-12/h1-4,9-10,12H,5-8H2,(H,22,25)
InChIKeyWFKKOBICKPLPIR-UHFFFAOYSA-N
XLogP2.53
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one (CID 54767532) is 5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ccc(-c3cnc4ccc(F)cn34)nc2n1C1CCOCC1.
What is the InChIKey of 5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is WFKKOBICKPLPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-11-1-4-16-20-9-15(23(16)10-11)13-2-3-14-17(21-13)24(18(25)22-14)12-5-7-26-8-6-12/h1-4,9-10,12H,5-8H2,(H,22,25).
What are the key properties of 5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one?
5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 353.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-3-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54767532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).