1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine

C18H12FN3O — CID 4287486

IUPAC1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine
SMILESFc1ccc(C=Nc2c(-c3ccco3)nc3ccccn23)cc1
InChIInChI=1S/C18H12FN3O/c19-14-8-6-13(7-9-14)12-20-18-17(15-4-3-11-23-15)21-16-5-1-2-10-22(16)18/h1-12H
InChIKeyNNCKXNGZGYBTOO-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine

1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine (PubChem CID 4287486) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine
PubChem CID4287486
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine
SMILESFc1ccc(C=Nc2c(-c3ccco3)nc3ccccn23)cc1
InChIInChI=1S/C18H12FN3O/c19-14-8-6-13(7-9-14)12-20-18-17(15-4-3-11-23-15)21-16-5-1-2-10-22(16)18/h1-12H
InChIKeyNNCKXNGZGYBTOO-UHFFFAOYSA-N
XLogP4.48
TPSA42.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

MK-3328
CID 44555286
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CID 44401938
6-(2-Furyl)-9-(3-nitrobenzyl)-9H-purine-2-amine
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6-(Furan-2-yl)-9-[(4-nitrophenyl)methyl]purin-2-amine
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Roscovitine derivative 1
CID 73353575
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10269418
3-[(4-Amino-3-fluorophenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 21874661

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine (CID 4287486) is 1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine is Fc1ccc(C=Nc2c(-c3ccco3)nc3ccccn23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The InChIKey is NNCKXNGZGYBTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-14-8-6-13(7-9-14)12-20-18-17(15-4-3-11-23-15)21-16-5-1-2-10-22(16)18/h1-12H.
What are the key properties of 1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine?
1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine has a molecular weight of 305.31 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine is sourced from PubChem (CID 4287486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).