(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C18H17FN4O2 — CID 9461640

IUPAC(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccc(F)cc12
InChIInChI=1S/C18H17FN4O2/c1-12-14-11-13(19)3-4-15(14)25-16(12)17(24)22-7-9-23(10-8-22)18-20-5-2-6-21-18/h2-6,11H,7-10H2,1H3
InChIKeyFJTFJEROTBVHBM-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.63
Rot. Bonds2

About (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 9461640) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID9461640
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccc(F)cc12
InChIInChI=1S/C18H17FN4O2/c1-12-14-11-13(19)3-4-15(14)25-16(12)17(24)22-7-9-23(10-8-22)18-20-5-2-6-21-18/h2-6,11H,7-10H2,1H3
InChIKeyFJTFJEROTBVHBM-UHFFFAOYSA-N
XLogP2.63
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 9461640) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccc(F)cc12.
What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FJTFJEROTBVHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-14-11-13(19)3-4-15(14)25-16(12)17(24)22-7-9-23(10-8-22)18-20-5-2-6-21-18/h2-6,11H,7-10H2,1H3.
What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 340.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9461640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).