[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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Related Compounds

1-[2-[4-[(Dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
CID 91759552
N-[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-[4-(ethoxymethyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 72548436
N-[4-[(1R,3R,4R,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-[4-(ethoxymethyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 91937592
US10377770, Example 32
CID 129272025
N-[2-[3,6-difluoro-2-(5-methylpyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71451085
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315763
US8609678, 4-(ethoxydipyridin-2-ylmethyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [111]
CID 58536942
US8609678, 4-((4-fluorophenyl)(methoxy)(pyridin-2-yl)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylbenzamide [143]
CID 58537014
Benzenecarboximidoyl 3-amino-6-[4-(1,4-diazepane-1-carbonyl)-3-fluorophenyl]pyrazine-2-carboximidate
CID 59471747
US8609678, 4-((4-fluorophenyl)(methoxy)(pyridin-2-yl)methyl)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide [142]
CID 87356086
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-[2-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]-2-oxoethyl]pyridin-2-one
CID 91759549

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).