4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane

C24H31FN4O2 — CID 145325362

IUPAC4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.O=CN1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1
InChIInChI=1S/C19H19FN4O.C5H12O/c20-16-6-4-15(5-7-16)19-17(24-8-2-1-3-18(24)21-19)13-22-9-11-23(14-25)12-10-22;1-5(2,3)6-4/h1-8,14H,9-13H2;1-4H3
InChIKeyRSCAKPYWQJIIAO-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.85
Rot. Bonds4

About 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane

4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane (PubChem CID 145325362) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane
PubChem CID145325362
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.O=CN1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1
InChIInChI=1S/C19H19FN4O.C5H12O/c20-16-6-4-15(5-7-16)19-17(24-8-2-1-3-18(24)21-19)13-22-9-11-23(14-25)12-10-22;1-5(2,3)6-4/h1-8,14H,9-13H2;1-4H3
InChIKeyRSCAKPYWQJIIAO-UHFFFAOYSA-N
XLogP3.85
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde
CID 155015642
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 70735350
4-[[2-(4-fluorophenyl)-3-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carbaldehyde
CID 142199275
(3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine
CID 70777918
1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759661
3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 155082855
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133881
3-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 90241831
methyl 2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 11807750
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane?
The IUPAC name of 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane (CID 145325362) is 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane?
The canonical SMILES for 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane is COC(C)(C)C.O=CN1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)CC1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane?
The InChIKey is RSCAKPYWQJIIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O.C5H12O/c20-16-6-4-15(5-7-16)19-17(24-8-2-1-3-18(24)21-19)13-22-9-11-23(14-25)12-10-22;1-5(2,3)6-4/h1-8,14H,9-13H2;1-4H3.
What are the key properties of 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane?
4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane has a molecular weight of 426.54 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane is sourced from PubChem (CID 145325362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).