[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone

C23H24FN5O — CID 138712237

IUPAC[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC(C)N1
InChIInChI=1S/C23H24FN5O/c1-14-12-29(13-15(2)28-14)23(30)18-6-4-3-5-17(18)16-7-8-19(20(24)9-16)21-10-27-22(25)11-26-21/h3-11,14-15,28H,12-13H2,1-2H3,(H2,25,27)
InChIKeyRRQUJDVZHHEHAM-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.35
Rot. Bonds3

About [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone

[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone (PubChem CID 138712237) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
PubChem CID138712237
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC(C)N1
InChIInChI=1S/C23H24FN5O/c1-14-12-29(13-15(2)28-14)23(30)18-6-4-3-5-17(18)16-7-8-19(20(24)9-16)21-10-27-22(25)11-26-21/h3-11,14-15,28H,12-13H2,1-2H3,(H2,25,27)
InChIKeyRRQUJDVZHHEHAM-UHFFFAOYSA-N
XLogP3.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone (CID 138712237) is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC(C)N1.
What is the InChIKey of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is RRQUJDVZHHEHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-14-12-29(13-15(2)28-14)23(30)18-6-4-3-5-17(18)16-7-8-19(20(24)9-16)21-10-27-22(25)11-26-21/h3-11,14-15,28H,12-13H2,1-2H3,(H2,25,27).
What are the key properties of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone?
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 405.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(3,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 138712237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).