(Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid

C15H8BrN3O2S — CID 56797454

IUPAC(Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid
SMILESN#C/C(=C/c1c(-c2ccc(Br)s2)nc2ccccn12)C(=O)O
InChIInChI=1S/C15H8BrN3O2S/c16-12-5-4-11(22-12)14-10(7-9(8-17)15(20)21)19-6-2-1-3-13(19)18-14/h1-7H,(H,20,21)/b9-7-
InChIKeyKBKNDMXKWVHFDY-CLFYSBASSA-N
MW374.22 g/mol
LogP3.82
Rot. Bonds3

About (Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid

(Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid (PubChem CID 56797454) has the molecular formula C15H8BrN3O2S and a molecular weight of 374.22 g/mol. Its IUPAC name is (Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid
PubChem CID56797454
Molecular FormulaC15H8BrN3O2S
Molecular Weight374.22 g/mol
Exact Mass372.95
IUPAC Name(Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid
SMILESN#C/C(=C/c1c(-c2ccc(Br)s2)nc2ccccn12)C(=O)O
InChIInChI=1S/C15H8BrN3O2S/c16-12-5-4-11(22-12)14-10(7-9(8-17)15(20)21)19-6-2-1-3-13(19)18-14/h1-7H,(H,20,21)/b9-7-
InChIKeyKBKNDMXKWVHFDY-CLFYSBASSA-N
XLogP3.82
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoic acid
CID 4596279
2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile
CID 5111894
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 43000969
(E)-2-cyano-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 43244886
(E)-3-[5-(4-bromophenyl)thiophen-2-yl]-2-cyanoprop-2-enoic acid
CID 33394644
(Z)-2-cyano-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enoic acid
CID 177492700
(E)-3-[5-[8-(5-bromothiophen-2-yl)-2,3-dihexylquinoxalin-5-yl]thiophen-2-yl]-2-cyanoprop-2-enoic acid
CID 175059217
(E)-2-cyano-3-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid
CID 102471258
(Z)-2-cyano-3-[5-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]prop-2-enoic acid
CID 122699741
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyanoprop-2-enoic acid
CID 43132250
2-cyano-3-(1-phenyl-2-sulfanylidene-3-pyridinyl)prop-2-enoic acid
CID 112758093
2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 54476815

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid?
The IUPAC name of (Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid (CID 56797454) is (Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid?
The canonical SMILES for (Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid is N#C/C(=C/c1c(-c2ccc(Br)s2)nc2ccccn12)C(=O)O.
What is the InChIKey of (Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid?
The InChIKey is KBKNDMXKWVHFDY-CLFYSBASSA-N. The full InChI is InChI=1S/C15H8BrN3O2S/c16-12-5-4-11(22-12)14-10(7-9(8-17)15(20)21)19-6-2-1-3-13(19)18-14/h1-7H,(H,20,21)/b9-7-.
What are the key properties of (Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid?
(Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid has a molecular weight of 374.22 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-cyanoprop-2-enoic acid is sourced from PubChem (CID 56797454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).