7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine

C19H21FN4 — CID 86342279

IUPAC7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine
SMILESFCCC1CCN(c2ccn3cc(-c4ccccc4)nc3n2)CC1
InChIInChI=1S/C19H21FN4/c20-10-6-15-7-11-23(12-8-15)18-9-13-24-14-17(21-19(24)22-18)16-4-2-1-3-5-16/h1-5,9,13-15H,6-8,10-12H2
InChIKeyIZJLHLGOAGZJOJ-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.97
Rot. Bonds4

About 7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine

7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine (PubChem CID 86342279) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine
PubChem CID86342279
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine
SMILESFCCC1CCN(c2ccn3cc(-c4ccccc4)nc3n2)CC1
InChIInChI=1S/C19H21FN4/c20-10-6-15-7-11-23(12-8-15)18-9-13-24-14-17(21-19(24)22-18)16-4-2-1-3-5-16/h1-5,9,13-15H,6-8,10-12H2
InChIKeyIZJLHLGOAGZJOJ-UHFFFAOYSA-N
XLogP3.97
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine (CID 86342279) is 7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine is FCCC1CCN(c2ccn3cc(-c4ccccc4)nc3n2)CC1.
What is the InChIKey of 7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is IZJLHLGOAGZJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c20-10-6-15-7-11-23(12-8-15)18-9-13-24-14-17(21-19(24)22-18)16-4-2-1-3-5-16/h1-5,9,13-15H,6-8,10-12H2.
What are the key properties of 7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine?
7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 324.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-fluoroethyl)piperidin-1-yl]-2-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 86342279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).