8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

C14H14BrFN4O — CID 70661928

IUPAC8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESCc1c(Nc2ccc(Br)cc2F)c(N)c2n(c1=O)CCN2
InChIInChI=1S/C14H14BrFN4O/c1-7-12(19-10-3-2-8(15)6-9(10)16)11(17)13-18-4-5-20(13)14(7)21/h2-3,6,18-19H,4-5,17H2,1H3
InChIKeyWRSNEPMIUOFPKN-UHFFFAOYSA-N
MW353.20 g/mol
LogP2.81
Rot. Bonds2

About 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 70661928) has the molecular formula C14H14BrFN4O and a molecular weight of 353.20 g/mol. Its IUPAC name is 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID70661928
Molecular FormulaC14H14BrFN4O
Molecular Weight353.20 g/mol
Exact Mass352.03
IUPAC Name8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESCc1c(Nc2ccc(Br)cc2F)c(N)c2n(c1=O)CCN2
InChIInChI=1S/C14H14BrFN4O/c1-7-12(19-10-3-2-8(15)6-9(10)16)11(17)13-18-4-5-20(13)14(7)21/h2-3,6,18-19H,4-5,17H2,1H3
InChIKeyWRSNEPMIUOFPKN-UHFFFAOYSA-N
XLogP2.81
TPSA72.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (CID 70661928) is 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is Cc1c(Nc2ccc(Br)cc2F)c(N)c2n(c1=O)CCN2.
What is the InChIKey of 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is WRSNEPMIUOFPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4O/c1-7-12(19-10-3-2-8(15)6-9(10)16)11(17)13-18-4-5-20(13)14(7)21/h2-3,6,18-19H,4-5,17H2,1H3.
What are the key properties of 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 353.20 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-(4-bromo-2-fluoroanilino)-6-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 70661928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).