4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde

C22H23FN4O — CID 142199275

IUPAC4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde
SMILESC/C=C/c1c(-c2ccc(F)cc2)nc2cc(CN3CCN(C=O)CC3)ccn12
InChIInChI=1S/C22H23FN4O/c1-2-3-20-22(18-4-6-19(23)7-5-18)24-21-14-17(8-9-27(20)21)15-25-10-12-26(16-28)13-11-25/h2-9,14,16H,10-13,15H2,1H3/b3-2+
InChIKeyIFIYIRPLWYGUHJ-NSCUHMNNSA-N
MW378.45 g/mol
LogP3.45
Rot. Bonds5

About 4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde

4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde (PubChem CID 142199275) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde
PubChem CID142199275
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde
SMILESC/C=C/c1c(-c2ccc(F)cc2)nc2cc(CN3CCN(C=O)CC3)ccn12
InChIInChI=1S/C22H23FN4O/c1-2-3-20-22(18-4-6-19(23)7-5-18)24-21-14-17(8-9-27(20)21)15-25-10-12-26(16-28)13-11-25/h2-9,14,16H,10-13,15H2,1H3/b3-2+
InChIKeyIFIYIRPLWYGUHJ-NSCUHMNNSA-N
XLogP3.45
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane
CID 145325362
7-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82343132
4-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde
CID 155015642
4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 58824370
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
3-[1-[[4-(5,6-dimethyl-3-phenylpyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazol-2-one
CID 142818925
4-[(4-fluorophenyl)methyl]piperazine-1-carbaldehyde;2-methyl-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 144508082
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
3-(4-fluorophenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728444
[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824388

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde (CID 142199275) is 4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde is C/C=C/c1c(-c2ccc(F)cc2)nc2cc(CN3CCN(C=O)CC3)ccn12.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde?
The InChIKey is IFIYIRPLWYGUHJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-2-3-20-22(18-4-6-19(23)7-5-18)24-21-14-17(8-9-27(20)21)15-25-10-12-26(16-28)13-11-25/h2-9,14,16H,10-13,15H2,1H3/b3-2+.
What are the key properties of 4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde?
4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde has a molecular weight of 378.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 142199275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).