6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline

C24H16BrFN4 — CID 67225168

IUPAC6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
SMILESFc1cc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)ccc1Br
InChIInChI=1S/C24H16BrFN4/c25-19-5-3-15(11-20(19)26)17-12-28-23-29-13-22(30(23)14-17)24(7-8-24)18-4-6-21-16(10-18)2-1-9-27-21/h1-6,9-14H,7-8H2
InChIKeyYMBPPDVXJJNZEI-UHFFFAOYSA-N
MW459.32 g/mol
LogP5.93
Rot. Bonds3

About 6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline

6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline (PubChem CID 67225168) has the molecular formula C24H16BrFN4 and a molecular weight of 459.32 g/mol. Its IUPAC name is 6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline.

Molecular Properties

Compound Name6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
PubChem CID67225168
Molecular FormulaC24H16BrFN4
Molecular Weight459.32 g/mol
Exact Mass458.05
IUPAC Name6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
SMILESFc1cc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)ccc1Br
InChIInChI=1S/C24H16BrFN4/c25-19-5-3-15(11-20(19)26)17-12-28-23-29-13-22(30(23)14-17)24(7-8-24)18-4-6-21-16(10-18)2-1-9-27-21/h1-6,9-14H,7-8H2
InChIKeyYMBPPDVXJJNZEI-UHFFFAOYSA-N
XLogP5.93
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.32
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The IUPAC name of 6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline (CID 67225168) is 6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline.
What is the SMILES notation for 6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The canonical SMILES for 6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline is Fc1cc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)ccc1Br.
What is the InChIKey of 6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The InChIKey is YMBPPDVXJJNZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrFN4/c25-19-5-3-15(11-20(19)26)17-12-28-23-29-13-22(30(23)14-17)24(7-8-24)18-4-6-21-16(10-18)2-1-9-27-21/h1-6,9-14H,7-8H2.
What are the key properties of 6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline has a molecular weight of 459.32 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-(4-bromo-3-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline is sourced from PubChem (CID 67225168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).