4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C22H21FN6 — CID 24887418

IUPAC4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCNCC4)ccn23)n1
InChIInChI=1S/C22H21FN6/c23-17-3-1-15(2-4-17)20-21(18-7-11-26-22(24)27-18)29-12-8-16(13-19(29)28-20)14-5-9-25-10-6-14/h1-4,7-8,11-14,25H,5-6,9-10H2,(H2,24,26,27)
InChIKeyXLJZIYPUEKTXOQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.65
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24887418) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24887418
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCNCC4)ccn23)n1
InChIInChI=1S/C22H21FN6/c23-17-3-1-15(2-4-17)20-21(18-7-11-26-22(24)27-18)29-12-8-16(13-19(29)28-20)14-5-9-25-10-6-14/h1-4,7-8,11-14,25H,5-6,9-10H2,(H2,24,26,27)
InChIKeyXLJZIYPUEKTXOQ-UHFFFAOYSA-N
XLogP3.65
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24887418) is 4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCNCC4)ccn23)n1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is XLJZIYPUEKTXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c23-17-3-1-15(2-4-17)20-21(18-7-11-26-22(24)27-18)29-12-8-16(13-19(29)28-20)14-5-9-25-10-6-14/h1-4,7-8,11-14,25H,5-6,9-10H2,(H2,24,26,27).
What are the key properties of 4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 388.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-7-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24887418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).