6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine

C19H21N5O — CID 145356790

IUPAC6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine
SMILESc1cn2cc(N3CCN(Cc4ccc5c(c4)OCC5)CC3)ncc2n1
InChIInChI=1S/C19H21N5O/c1-2-16-3-10-25-17(16)11-15(1)13-22-6-8-23(9-7-22)19-14-24-5-4-20-18(24)12-21-19/h1-2,4-5,11-12,14H,3,6-10,13H2
InChIKeyQPQYBMGQMHEJOU-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.99
Rot. Bonds3

About 6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine

6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine (PubChem CID 145356790) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine
PubChem CID145356790
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine
SMILESc1cn2cc(N3CCN(Cc4ccc5c(c4)OCC5)CC3)ncc2n1
InChIInChI=1S/C19H21N5O/c1-2-16-3-10-25-17(16)11-15(1)13-22-6-8-23(9-7-22)19-14-24-5-4-20-18(24)12-21-19/h1-2,4-5,11-12,14H,3,6-10,13H2
InChIKeyQPQYBMGQMHEJOU-UHFFFAOYSA-N
XLogP1.99
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine (CID 145356790) is 6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine is c1cn2cc(N3CCN(Cc4ccc5c(c4)OCC5)CC3)ncc2n1.
What is the InChIKey of 6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine?
The InChIKey is QPQYBMGQMHEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-16-3-10-25-17(16)11-15(1)13-22-6-8-23(9-7-22)19-14-24-5-4-20-18(24)12-21-19/h1-2,4-5,11-12,14H,3,6-10,13H2.
What are the key properties of 6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine?
6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine has a molecular weight of 335.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 145356790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).