(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C19H19ClN4O2 — CID 25383038

IUPAC(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(Cl)c2oc(C(=O)N3CCN(c4cnccn4)CC3)c(C)c2c1
InChIInChI=1S/C19H19ClN4O2/c1-12-9-14-13(2)17(26-18(14)15(20)10-12)19(25)24-7-5-23(6-8-24)16-11-21-3-4-22-16/h3-4,9-11H,5-8H2,1-2H3
InChIKeyQFGKOULITGJLHT-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.46
Rot. Bonds2

About (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 25383038) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID25383038
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(Cl)c2oc(C(=O)N3CCN(c4cnccn4)CC3)c(C)c2c1
InChIInChI=1S/C19H19ClN4O2/c1-12-9-14-13(2)17(26-18(14)15(20)10-12)19(25)24-7-5-23(6-8-24)16-11-21-3-4-22-16/h3-4,9-11H,5-8H2,1-2H3
InChIKeyQFGKOULITGJLHT-UHFFFAOYSA-N
XLogP3.46
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 25383038) is (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cc1cc(Cl)c2oc(C(=O)N3CCN(c4cnccn4)CC3)c(C)c2c1.
What is the InChIKey of (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QFGKOULITGJLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-9-14-13(2)17(26-18(14)15(20)10-12)19(25)24-7-5-23(6-8-24)16-11-21-3-4-22-16/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 370.84 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 25383038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).