7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C19H14FN3O3 — CID 51138573

IUPAC7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1CC(c2ccc3c(c2)OCO3)c2c(ncn2-c2ccc(F)cc2)N1
InChIInChI=1S/C19H14FN3O3/c20-12-2-4-13(5-3-12)23-9-21-19-18(23)14(8-17(24)22-19)11-1-6-15-16(7-11)26-10-25-15/h1-7,9,14H,8,10H2,(H,22,24)
InChIKeyJBNZAOQSKCXBND-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.21
Rot. Bonds2

About 7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51138573) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51138573
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1CC(c2ccc3c(c2)OCO3)c2c(ncn2-c2ccc(F)cc2)N1
InChIInChI=1S/C19H14FN3O3/c20-12-2-4-13(5-3-12)23-9-21-19-18(23)14(8-17(24)22-19)11-1-6-15-16(7-11)26-10-25-15/h1-7,9,14H,8,10H2,(H,22,24)
InChIKeyJBNZAOQSKCXBND-UHFFFAOYSA-N
XLogP3.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51688581
(5R)-2-amino-5-(1,3-benzodioxol-5-yl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135622810
7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 91972597
(4S)-4-(1,3-benzodioxol-5-yl)-1-(3,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136920126
methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 5229101
(7R)-3-(4-fluorophenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719836
3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 82082678
(4S)-4-(1,3-benzodioxol-5-yl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917200
(4R)-4-(1,3-benzodioxol-5-yl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917201
(7S)-3-(4-fluorophenyl)-7-(3-hydroxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717862
(4R)-4-(1,3-benzodioxol-5-yl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433613
ethyl 2-[4-(1,3-benzodioxol-5-yl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 135632968

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51138573) is 7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1CC(c2ccc3c(c2)OCO3)c2c(ncn2-c2ccc(F)cc2)N1.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is JBNZAOQSKCXBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-12-2-4-13(5-3-12)23-9-21-19-18(23)14(8-17(24)22-19)11-1-6-15-16(7-11)26-10-25-15/h1-7,9,14H,8,10H2,(H,22,24).
What are the key properties of 7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 351.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51138573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).