(E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one

C18H14Br2FN3O — CID 18436707

IUPAC(E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nc2c(Br)cc(Br)cn12
InChIInChI=1S/C18H14Br2FN3O/c1-23(2)8-7-15(25)17-16(11-3-5-13(21)6-4-11)22-18-14(20)9-12(19)10-24(17)18/h3-10H,1-2H3/b8-7+
InChIKeyPIMZHZWBYPAYPW-BQYQJAHWSA-N
MW467.14 g/mol
LogP4.92
Rot. Bonds4

About (E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one

(E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one (PubChem CID 18436707) has the molecular formula C18H14Br2FN3O and a molecular weight of 467.14 g/mol. Its IUPAC name is (E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
PubChem CID18436707
Molecular FormulaC18H14Br2FN3O
Molecular Weight467.14 g/mol
Exact Mass464.95
IUPAC Name(E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nc2c(Br)cc(Br)cn12
InChIInChI=1S/C18H14Br2FN3O/c1-23(2)8-7-15(25)17-16(11-3-5-13(21)6-4-11)22-18-14(20)9-12(19)10-24(17)18/h3-10H,1-2H3/b8-7+
InChIKeyPIMZHZWBYPAYPW-BQYQJAHWSA-N
XLogP4.92
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.14
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of (E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one (CID 18436707) is (E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for (E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one is CN(C)/C=C/C(=O)c1c(-c2ccc(F)cc2)nc2c(Br)cc(Br)cn12.
What is the InChIKey of (E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is PIMZHZWBYPAYPW-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H14Br2FN3O/c1-23(2)8-7-15(25)17-16(11-3-5-13(21)6-4-11)22-18-14(20)9-12(19)10-24(17)18/h3-10H,1-2H3/b8-7+.
What are the key properties of (E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one?
(E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 467.14 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 18436707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).