[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

C23H23FN4O2 — CID 90313435

IUPAC[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC(C)O1
InChIInChI=1S/C23H23FN4O2/c1-14-12-28(13-15(2)30-14)23(29)18-6-4-3-5-17(18)16-7-8-19(20(24)9-16)21-10-27-22(25)11-26-21/h3-11,14-15H,12-13H2,1-2H3,(H2,25,27)
InChIKeyVJCSRRUCILKYAQ-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.78
Rot. Bonds3

About [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 90313435) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID90313435
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC(C)O1
InChIInChI=1S/C23H23FN4O2/c1-14-12-28(13-15(2)30-14)23(29)18-6-4-3-5-17(18)16-7-8-19(20(24)9-16)21-10-27-22(25)11-26-21/h3-11,14-15H,12-13H2,1-2H3,(H2,25,27)
InChIKeyVJCSRRUCILKYAQ-UHFFFAOYSA-N
XLogP3.78
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
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]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 90313435) is [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC(C)O1.
What is the InChIKey of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is VJCSRRUCILKYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-14-12-28(13-15(2)30-14)23(29)18-6-4-3-5-17(18)16-7-8-19(20(24)9-16)21-10-27-22(25)11-26-21/h3-11,14-15H,12-13H2,1-2H3,(H2,25,27).
What are the key properties of [2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 406.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 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]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 90313435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).