[2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone

C23H22FN3O3 — CID 127251029

IUPAC[2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCOC(c3cncc(-c4cccc(F)c4)n3)C2)cc1
InChIInChI=1S/C23H22FN3O3/c1-29-15-16-5-7-17(8-6-16)23(28)27-9-10-30-22(14-27)21-13-25-12-20(26-21)18-3-2-4-19(24)11-18/h2-8,11-13,22H,9-10,14-15H2,1H3
InChIKeyIROZQNXGHCCVMN-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.64
Rot. Bonds5

About [2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone

[2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone (PubChem CID 127251029) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is [2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
PubChem CID127251029
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name[2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCOC(c3cncc(-c4cccc(F)c4)n3)C2)cc1
InChIInChI=1S/C23H22FN3O3/c1-29-15-16-5-7-17(8-6-16)23(28)27-9-10-30-22(14-27)21-13-25-12-20(26-21)18-3-2-4-19(24)11-18/h2-8,11-13,22H,9-10,14-15H2,1H3
InChIKeyIROZQNXGHCCVMN-UHFFFAOYSA-N
XLogP3.64
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone?
The IUPAC name of [2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone (CID 127251029) is [2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone is COCc1ccc(C(=O)N2CCOC(c3cncc(-c4cccc(F)c4)n3)C2)cc1.
What is the InChIKey of [2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone?
The InChIKey is IROZQNXGHCCVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-29-15-16-5-7-17(8-6-16)23(28)27-9-10-30-22(14-27)21-13-25-12-20(26-21)18-3-2-4-19(24)11-18/h2-8,11-13,22H,9-10,14-15H2,1H3.
What are the key properties of [2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone?
[2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone has a molecular weight of 407.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 127251029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).