6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline

C24H17FN4 — CID 141215062

IUPAC6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
SMILESFc1ccccc1-c1cnc2ncc(C3(c4ccc5ncccc5c4)CC3)n2c1
InChIInChI=1S/C24H17FN4/c25-20-6-2-1-5-19(20)17-13-27-23-28-14-22(29(23)15-17)24(9-10-24)18-7-8-21-16(12-18)4-3-11-26-21/h1-8,11-15H,9-10H2
InChIKeyFDUQUROOANJZJY-UHFFFAOYSA-N
MW380.43 g/mol
LogP5.16
Rot. Bonds3

About 6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline

6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline (PubChem CID 141215062) has the molecular formula C24H17FN4 and a molecular weight of 380.43 g/mol. Its IUPAC name is 6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline.

Molecular Properties

Compound Name6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
PubChem CID141215062
Molecular FormulaC24H17FN4
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC Name6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
SMILESFc1ccccc1-c1cnc2ncc(C3(c4ccc5ncccc5c4)CC3)n2c1
InChIInChI=1S/C24H17FN4/c25-20-6-2-1-5-19(20)17-13-27-23-28-14-22(29(23)15-17)24(9-10-24)18-7-8-21-16(12-18)4-3-11-26-21/h1-8,11-15H,9-10H2
InChIKeyFDUQUROOANJZJY-UHFFFAOYSA-N
XLogP5.16
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The IUPAC name of 6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline (CID 141215062) is 6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline.
What is the SMILES notation for 6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The canonical SMILES for 6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline is Fc1ccccc1-c1cnc2ncc(C3(c4ccc5ncccc5c4)CC3)n2c1.
What is the InChIKey of 6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The InChIKey is FDUQUROOANJZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4/c25-20-6-2-1-5-19(20)17-13-27-23-28-14-22(29(23)15-17)24(9-10-24)18-7-8-21-16(12-18)4-3-11-26-21/h1-8,11-15H,9-10H2.
What are the key properties of 6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline has a molecular weight of 380.43 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline is sourced from PubChem (CID 141215062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).