5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

C18H19ClFN3O — CID 54761397

IUPAC5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(F)c(Cl)c3)nc21
InChIInChI=1S/C18H19ClFN3O/c1-18(2,3)10-23-15-8-7-14(21-16(15)22(4)17(23)24)11-5-6-13(20)12(19)9-11/h5-9H,10H2,1-4H3
InChIKeyACXGNLZZIWSGRS-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.24
Rot. Bonds2

About 5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 54761397) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID54761397
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(F)c(Cl)c3)nc21
InChIInChI=1S/C18H19ClFN3O/c1-18(2,3)10-23-15-8-7-14(21-16(15)22(4)17(23)24)11-5-6-13(20)12(19)9-11/h5-9H,10H2,1-4H3
InChIKeyACXGNLZZIWSGRS-UHFFFAOYSA-N
XLogP4.24
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 54761397) is 5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(F)c(Cl)c3)nc21.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is ACXGNLZZIWSGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c1-18(2,3)10-23-15-8-7-14(21-16(15)22(4)17(23)24)11-5-6-13(20)12(19)9-11/h5-9H,10H2,1-4H3.
What are the key properties of 5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 347.82 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54761397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).