2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine

C53H49F3N12OS2 — CID 126740829

IUPAC2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine
SMILESFC1CCN(c2ccn3cc(-c4cc5ccccc5o4)nc3n2)CC1.FC1CCN(c2ccn3cc(-c4cc5ccccc5s4)nc3n2)CC1.FC1CCN(c2ccn3cc(-c4ccsc4)nc3n2)CC1
InChIInChI=1S/C19H17FN4O.C19H17FN4S.C15H15FN4S/c2*20-14-5-8-23(9-6-14)18-7-10-24-12-15(21-19(24)22-18)17-11-13-3-1-2-4-16(13)25-17;16-12-1-5-19(6-2-12)14-3-7-20-9-13(17-15(20)18-14)11-4-8-21-10-11/h2*1-4,7,10-12,14H,5-6,8-9H2;3-4,7-10,12H,1-2,5-6H2
InChIKeyZKOXKUMMKYPAQL-UHFFFAOYSA-N
MW991.19 g/mol
LogP12.03
Rot. Bonds6

About 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine

2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine (PubChem CID 126740829) has the molecular formula C53H49F3N12OS2 and a molecular weight of 991.19 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine
PubChem CID126740829
Molecular FormulaC53H49F3N12OS2
Molecular Weight991.19 g/mol
Exact Mass990.35
IUPAC Name2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine
SMILESFC1CCN(c2ccn3cc(-c4cc5ccccc5o4)nc3n2)CC1.FC1CCN(c2ccn3cc(-c4cc5ccccc5s4)nc3n2)CC1.FC1CCN(c2ccn3cc(-c4ccsc4)nc3n2)CC1
InChIInChI=1S/C19H17FN4O.C19H17FN4S.C15H15FN4S/c2*20-14-5-8-23(9-6-14)18-7-10-24-12-15(21-19(24)22-18)17-11-13-3-1-2-4-16(13)25-17;16-12-1-5-19(6-2-12)14-3-7-20-9-13(17-15(20)18-14)11-4-8-21-10-11/h2*1-4,7,10-12,14H,5-6,8-9H2;3-4,7-10,12H,1-2,5-6H2
InChIKeyZKOXKUMMKYPAQL-UHFFFAOYSA-N
XLogP12.03
TPSA113.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500991.19
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine (CID 126740829) is 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine is FC1CCN(c2ccn3cc(-c4cc5ccccc5o4)nc3n2)CC1.FC1CCN(c2ccn3cc(-c4cc5ccccc5s4)nc3n2)CC1.FC1CCN(c2ccn3cc(-c4ccsc4)nc3n2)CC1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine?
The InChIKey is ZKOXKUMMKYPAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O.C19H17FN4S.C15H15FN4S/c2*20-14-5-8-23(9-6-14)18-7-10-24-12-15(21-19(24)22-18)17-11-13-3-1-2-4-16(13)25-17;16-12-1-5-19(6-2-12)14-3-7-20-9-13(17-15(20)18-14)11-4-8-21-10-11/h2*1-4,7,10-12,14H,5-6,8-9H2;3-4,7-10,12H,1-2,5-6H2.
What are the key properties of 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine?
2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine has a molecular weight of 991.19 g/mol, XLogP of 12.03, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 126740829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).