4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one

C16H14BrN3O — CID 121386204

IUPAC4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1c(C2CC2)nc2ccc(-n3ccc(Br)cc3=O)cn12
InChIInChI=1S/C16H14BrN3O/c1-10-16(11-2-3-11)18-14-5-4-13(9-20(10)14)19-7-6-12(17)8-15(19)21/h4-9,11H,2-3H2,1H3
InChIKeyAVQCKEDIJBTMMC-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.43
Rot. Bonds2

About 4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one

4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (PubChem CID 121386204) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
PubChem CID121386204
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1c(C2CC2)nc2ccc(-n3ccc(Br)cc3=O)cn12
InChIInChI=1S/C16H14BrN3O/c1-10-16(11-2-3-11)18-14-5-4-13(9-20(10)14)19-7-6-12(17)8-15(19)21/h4-9,11H,2-3H2,1H3
InChIKeyAVQCKEDIJBTMMC-UHFFFAOYSA-N
XLogP3.43
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The IUPAC name of 4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (CID 121386204) is 4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.
What is the SMILES notation for 4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The canonical SMILES for 4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is Cc1c(C2CC2)nc2ccc(-n3ccc(Br)cc3=O)cn12.
What is the InChIKey of 4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The InChIKey is AVQCKEDIJBTMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-10-16(11-2-3-11)18-14-5-4-13(9-20(10)14)19-7-6-12(17)8-15(19)21/h4-9,11H,2-3H2,1H3.
What are the key properties of 4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one has a molecular weight of 344.21 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is sourced from PubChem (CID 121386204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).