[4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone

C24H22FN5O2 — CID 24760454

IUPAC[4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4cc5ccccc5o4)n3)c(F)c2)CC1
InChIInChI=1S/C24H22FN5O2/c1-29-8-10-30(11-9-29)24(31)16-6-7-17(18(25)12-16)19-14-27-23(26)22(28-19)21-13-15-4-2-3-5-20(15)32-21/h2-7,12-14H,8-11H2,1H3,(H2,26,27)
InChIKeyDIGCBNOQNHBISN-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.67
Rot. Bonds3

About [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone

[4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 24760454) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID24760454
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name[4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4cc5ccccc5o4)n3)c(F)c2)CC1
InChIInChI=1S/C24H22FN5O2/c1-29-8-10-30(11-9-29)24(31)16-6-7-17(18(25)12-16)19-14-27-23(26)22(28-19)21-13-15-4-2-3-5-20(15)32-21/h2-7,12-14H,8-11H2,1H3,(H2,26,27)
InChIKeyDIGCBNOQNHBISN-UHFFFAOYSA-N
XLogP3.67
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone (CID 24760454) is [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4cc5ccccc5o4)n3)c(F)c2)CC1.
What is the InChIKey of [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DIGCBNOQNHBISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-29-8-10-30(11-9-29)24(31)16-6-7-17(18(25)12-16)19-14-27-23(26)22(28-19)21-13-15-4-2-3-5-20(15)32-21/h2-7,12-14H,8-11H2,1H3,(H2,26,27).
What are the key properties of [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 431.47 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(1-benzofuran-2-yl)pyrazin-2-yl]-3-fluorophenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 24760454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).