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

C25H17FN4O — CID 69316016

IUPACN-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc(F)cc3)c(-c3ccc(C#Cc4ccccn4)o3)nc2c1
InChIInChI=1S/C25H17FN4O/c1-17-13-15-30-23(16-17)29-24(25(30)28-20-7-5-18(26)6-8-20)22-12-11-21(31-22)10-9-19-4-2-3-14-27-19/h2-8,11-16,28H,1H3
InChIKeyYYJGSHGSSDTJSJ-UHFFFAOYSA-N
MW408.44 g/mol
LogP5.58
Rot. Bonds3

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

N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 69316016) has the molecular formula C25H17FN4O and a molecular weight of 408.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID69316016
Molecular FormulaC25H17FN4O
Molecular Weight408.44 g/mol
Exact Mass408.14
IUPAC NameN-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc(F)cc3)c(-c3ccc(C#Cc4ccccn4)o3)nc2c1
InChIInChI=1S/C25H17FN4O/c1-17-13-15-30-23(16-17)29-24(25(30)28-20-7-5-18(26)6-8-20)22-12-11-21(31-22)10-9-19-4-2-3-14-27-19/h2-8,11-16,28H,1H3
InChIKeyYYJGSHGSSDTJSJ-UHFFFAOYSA-N
XLogP5.58
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 69316016) is N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(Nc3ccc(F)cc3)c(-c3ccc(C#Cc4ccccn4)o3)nc2c1.
What is the InChIKey of N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is YYJGSHGSSDTJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O/c1-17-13-15-30-23(16-17)29-24(25(30)28-20-7-5-18(26)6-8-20)22-12-11-21(31-22)10-9-19-4-2-3-14-27-19/h2-8,11-16,28H,1H3.
What are the key properties of N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine?
N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 408.44 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-methyl-2-[5-(2-pyridin-2-ylethynyl)furan-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 69316016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).