1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone

C25H29N5O2 — CID 53244893

IUPAC1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCC1CN(c2cnccn2)CC(C)N1CC(=O)N1CC=C(c2ccc3occc3c2)CC1
InChIInChI=1S/C25H29N5O2/c1-18-15-29(24-14-26-8-9-27-24)16-19(2)30(18)17-25(31)28-10-5-20(6-11-28)21-3-4-23-22(13-21)7-12-32-23/h3-5,7-9,12-14,18-19H,6,10-11,15-17H2,1-2H3
InChIKeyIVVKDXHRTUWZPY-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone

1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 53244893) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID53244893
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCC1CN(c2cnccn2)CC(C)N1CC(=O)N1CC=C(c2ccc3occc3c2)CC1
InChIInChI=1S/C25H29N5O2/c1-18-15-29(24-14-26-8-9-27-24)16-19(2)30(18)17-25(31)28-10-5-20(6-11-28)21-3-4-23-22(13-21)7-12-32-23/h3-5,7-9,12-14,18-19H,6,10-11,15-17H2,1-2H3
InChIKeyIVVKDXHRTUWZPY-UHFFFAOYSA-N
XLogP3.44
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 53244893) is 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone is CC1CN(c2cnccn2)CC(C)N1CC(=O)N1CC=C(c2ccc3occc3c2)CC1.
What is the InChIKey of 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IVVKDXHRTUWZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-15-29(24-14-26-8-9-27-24)16-19(2)30(18)17-25(31)28-10-5-20(6-11-28)21-3-4-23-22(13-21)7-12-32-23/h3-5,7-9,12-14,18-19H,6,10-11,15-17H2,1-2H3.
What are the key properties of 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone?
1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 431.54 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2,6-dimethyl-4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53244893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).