imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

C22H18N4O2 — CID 7712856

IUPACimidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate
SMILESN#CCCn1cc(/C=C/C(=O)OCc2cn3ccccc3n2)c2ccccc21
InChIInChI=1S/C22H18N4O2/c23-11-5-13-25-14-17(19-6-1-2-7-20(19)25)9-10-22(27)28-16-18-15-26-12-4-3-8-21(26)24-18/h1-4,6-10,12,14-15H,5,13,16H2/b10-9+
InChIKeyQYXVEAUSILYISL-MDZDMXLPSA-N
MW370.41 g/mol
LogP3.96
Rot. Bonds6

About imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate (PubChem CID 7712856) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate
PubChem CID7712856
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate
SMILESN#CCCn1cc(/C=C/C(=O)OCc2cn3ccccc3n2)c2ccccc21
InChIInChI=1S/C22H18N4O2/c23-11-5-13-25-14-17(19-6-1-2-7-20(19)25)9-10-22(27)28-16-18-15-26-12-4-3-8-21(26)24-18/h1-4,6-10,12,14-15H,5,13,16H2/b10-9+
InChIKeyQYXVEAUSILYISL-MDZDMXLPSA-N
XLogP3.96
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate
CID 7712947
3-(5-phenyltetrazol-2-yl)propyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate
CID 86902684
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate
CID 7712928
(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 8760465
[(2R)-1-anilino-1-oxopropan-2-yl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate
CID 7712884
3-[1-(2-cyanoethyl)indol-3-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 78769718
3-[3-[(E)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]indol-1-yl]propanenitrile
CID 55334909
2-[[1-(2-cyanoethyl)indol-3-yl]methylidene]propanedinitrile
CID 30234194
3-[3-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]indol-1-yl]propanenitrile
CID 9338428
(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 78768114
(Z)-3-[1-(2-cyanoethyl)indol-3-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 137309635
3-[1-(2-cyanoethyl)indol-3-yl]-N-[(2-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 78768902

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate (CID 7712856) is imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate is N#CCCn1cc(/C=C/C(=O)OCc2cn3ccccc3n2)c2ccccc21.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate?
The InChIKey is QYXVEAUSILYISL-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H18N4O2/c23-11-5-13-25-14-17(19-6-1-2-7-20(19)25)9-10-22(27)28-16-18-15-26-12-4-3-8-21(26)24-18/h1-4,6-10,12,14-15H,5,13,16H2/b10-9+.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate?
imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate has a molecular weight of 370.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate is sourced from PubChem (CID 7712856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).