N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine

C19H16FN3O — CID 4288207

IUPACN-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc(F)cc3)c(-c3ccc(C)o3)nc2c1
InChIInChI=1S/C19H16FN3O/c1-12-9-10-23-17(11-12)22-18(16-8-3-13(2)24-16)19(23)21-15-6-4-14(20)5-7-15/h3-11,21H,1-2H3
InChIKeyPJNHLEFEDGQOQX-UHFFFAOYSA-N
MW321.36 g/mol
LogP5.09
Rot. Bonds3

About N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine

N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 4288207) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID4288207
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC NameN-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc(F)cc3)c(-c3ccc(C)o3)nc2c1
InChIInChI=1S/C19H16FN3O/c1-12-9-10-23-17(11-12)22-18(16-8-3-13(2)24-16)19(23)21-15-6-4-14(20)5-7-15/h3-11,21H,1-2H3
InChIKeyPJNHLEFEDGQOQX-UHFFFAOYSA-N
XLogP5.09
TPSA42.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_C(6)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 4288207) is N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(Nc3ccc(F)cc3)c(-c3ccc(C)o3)nc2c1.
What is the InChIKey of N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is PJNHLEFEDGQOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-12-9-10-23-17(11-12)22-18(16-8-3-13(2)24-16)19(23)21-15-6-4-14(20)5-7-15/h3-11,21H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 321.36 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 4288207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).