4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one

C17H14IN3O — CID 143706846

IUPAC4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one
SMILESCC(=O)C=C(N)c1ccn2c(-c3cccc(I)c3)cnc2c1
InChIInChI=1S/C17H14IN3O/c1-11(22)7-15(19)12-5-6-21-16(10-20-17(21)9-12)13-3-2-4-14(18)8-13/h2-10H,19H2,1H3
InChIKeyDKQRBLRTIWDFHL-UHFFFAOYSA-N
MW403.22 g/mol
LogP3.49
Rot. Bonds3

About 4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one

4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one (PubChem CID 143706846) has the molecular formula C17H14IN3O and a molecular weight of 403.22 g/mol. Its IUPAC name is 4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one.

Molecular Properties

Compound Name4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one
PubChem CID143706846
Molecular FormulaC17H14IN3O
Molecular Weight403.22 g/mol
Exact Mass403.02
IUPAC Name4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one
SMILESCC(=O)C=C(N)c1ccn2c(-c3cccc(I)c3)cnc2c1
InChIInChI=1S/C17H14IN3O/c1-11(22)7-15(19)12-5-6-21-16(10-20-17(21)9-12)13-3-2-4-14(18)8-13/h2-10H,19H2,1H3
InChIKeyDKQRBLRTIWDFHL-UHFFFAOYSA-N
XLogP3.49
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[7-[(1Z,3E)-1,4-diamino-4-methoxybuta-1,3-dienyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2-difluoro-2-phosphanylethyl)urea
CID 143908204
1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
CID 138548206
3-[7-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 143707303
1-[3-(7-acetylimidazo[1,2-a]pyridin-3-yl)phenyl]-5,5,5-trifluoropentan-2-one;3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 91455358
N'-ethenyl-3-[3-(ethylamino)phenyl]-N-methylideneimidazo[1,2-a]pyridine-7-carboximidamide;formamide
CID 143908002
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
CID 25262646
2-[3-(3-methylphenyl)imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-amine
CID 163646899
1-[3-[7-[1-(methoxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 123311856
3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 143787924
3-[7-[3-(ethylamino)-2-methylphenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 174600872
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[5-(methylamino)-5-oxopentyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 166673031
N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
CID 59321077

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one?
The IUPAC name of 4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one (CID 143706846) is 4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one.
What is the SMILES notation for 4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one?
The canonical SMILES for 4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one is CC(=O)C=C(N)c1ccn2c(-c3cccc(I)c3)cnc2c1.
What is the InChIKey of 4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one?
The InChIKey is DKQRBLRTIWDFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN3O/c1-11(22)7-15(19)12-5-6-21-16(10-20-17(21)9-12)13-3-2-4-14(18)8-13/h2-10H,19H2,1H3.
What are the key properties of 4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one?
4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one has a molecular weight of 403.22 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one is sourced from PubChem (CID 143706846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).