(Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal

C19H14N2O2 — CID 99726261

IUPAC(Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal
SMILESO=C/C=C\c1ccc(-c2cn3cc(/C=C\C=O)ccc3n2)cc1
InChIInChI=1S/C19H14N2O2/c22-11-1-3-15-5-8-17(9-6-15)18-14-21-13-16(4-2-12-23)7-10-19(21)20-18/h1-14H/b3-1-,4-2-
InChIKeyULOGAXDYVSGORE-CCAGOZQPSA-N
MW302.33 g/mol
LogP3.43
Rot. Bonds5

About (Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal

(Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal (PubChem CID 99726261) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is (Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal
PubChem CID99726261
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name(Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal
SMILESO=C/C=C\c1ccc(-c2cn3cc(/C=C\C=O)ccc3n2)cc1
InChIInChI=1S/C19H14N2O2/c22-11-1-3-15-5-8-17(9-6-15)18-14-21-13-16(4-2-12-23)7-10-19(21)20-18/h1-14H/b3-1-,4-2-
InChIKeyULOGAXDYVSGORE-CCAGOZQPSA-N
XLogP3.43
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[6-[3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
CID 5469560
N-[(E)-[(E)-3-[4-[6-[(Z,3E)-3-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enylidene]amino]-1,4,5,6-tetrahydropyrimidin-2-amine;hydrobromide
CID 54608530
[(E)-3-[4-[6-[(E)-3-azaniumylidene-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-ethoxyprop-2-enylidene]azanium dichloride
CID 135406530
4-imidazo[1,2-a]pyridin-2-ylbenzaldehyde
CID 820963
(E)-3-[4-[6-[(E)-3-imino-3-(4-methylpiperazin-1-yl)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-imine
CID 10577217
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]formamide
CID 24994442
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
2-[(E)-2-(4-formylphenyl)ethenyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 10754921
(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
CID 10427370
4-[(E)-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)ethenyl]benzonitrile
CID 54611473
2-(2-bromophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 84739483
[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]methanimine
CID 146521508

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal?
The IUPAC name of (Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal (CID 99726261) is (Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal.
What is the SMILES notation for (Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal?
The canonical SMILES for (Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal is O=C/C=C\c1ccc(-c2cn3cc(/C=C\C=O)ccc3n2)cc1.
What is the InChIKey of (Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal?
The InChIKey is ULOGAXDYVSGORE-CCAGOZQPSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-11-1-3-15-5-8-17(9-6-15)18-14-21-13-16(4-2-12-23)7-10-19(21)20-18/h1-14H/b3-1-,4-2-.
What are the key properties of (Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal?
(Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal has a molecular weight of 302.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal is sourced from PubChem (CID 99726261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).