5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one

C6H5FN4O — CID 146517611

IUPAC5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one
SMILESNc1cc(=O)c2[nH]c(F)nc2[nH]1
InChIInChI=1S/C6H5FN4O/c7-6-10-4-2(12)1-3(8)9-5(4)11-6/h1H,(H4,8,9,10,11,12)
InChIKeyBGPMUNOXLQVSTL-UHFFFAOYSA-N
MW168.13 g/mol
LogP-0.03
Rot. Bonds

About 5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one

5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one (PubChem CID 146517611) has the molecular formula C6H5FN4O and a molecular weight of 168.13 g/mol. Its IUPAC name is 5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one
PubChem CID146517611
Molecular FormulaC6H5FN4O
Molecular Weight168.13 g/mol
Exact Mass168.04
IUPAC Name5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one
SMILESNc1cc(=O)c2[nH]c(F)nc2[nH]1
InChIInChI=1S/C6H5FN4O/c7-6-10-4-2(12)1-3(8)9-5(4)11-6/h1H,(H4,8,9,10,11,12)
InChIKeyBGPMUNOXLQVSTL-UHFFFAOYSA-N
XLogP-0.03
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one?
The IUPAC name of 5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one (CID 146517611) is 5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one.
What is the SMILES notation for 5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one?
The canonical SMILES for 5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one is Nc1cc(=O)c2[nH]c(F)nc2[nH]1.
What is the InChIKey of 5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one?
The InChIKey is BGPMUNOXLQVSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4O/c7-6-10-4-2(12)1-3(8)9-5(4)11-6/h1H,(H4,8,9,10,11,12).
What are the key properties of 5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one?
5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one has a molecular weight of 168.13 g/mol, XLogP of -0.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-1,4-dihydroimidazo[4,5-b]pyridin-7-one is sourced from PubChem (CID 146517611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).