1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone

C23H23N3O2 — CID 53071971

IUPAC1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone
SMILESCc1ccc(CN2CCN(C(=O)COc3ccccc3)c3cccnc32)cc1
InChIInChI=1S/C23H23N3O2/c1-18-9-11-19(12-10-18)16-25-14-15-26(21-8-5-13-24-23(21)25)22(27)17-28-20-6-3-2-4-7-20/h2-13H,14-17H2,1H3
InChIKeyGZQYEUUNMDEKQJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.82
Rot. Bonds5

About 1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone

1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone (PubChem CID 53071971) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone
PubChem CID53071971
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone
SMILESCc1ccc(CN2CCN(C(=O)COc3ccccc3)c3cccnc32)cc1
InChIInChI=1S/C23H23N3O2/c1-18-9-11-19(12-10-18)16-25-14-15-26(21-8-5-13-24-23(21)25)22(27)17-28-20-6-3-2-4-7-20/h2-13H,14-17H2,1H3
InChIKeyGZQYEUUNMDEKQJ-UHFFFAOYSA-N
XLogP3.82
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-2-phenoxyethanone
CID 53071925
(2R)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 95070078
(2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 95070077
1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 53071951
1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one
CID 53033924
4-benzyl-N-(3,5-dimethylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071605
4-benzyl-N-(2-methylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071610
4-benzyl-N-(4-ethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071618
4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071613
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate
CID 53071660
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
CID 53071632
4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071619

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone (CID 53071971) is 1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone is Cc1ccc(CN2CCN(C(=O)COc3ccccc3)c3cccnc32)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone?
The InChIKey is GZQYEUUNMDEKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-18-9-11-19(12-10-18)16-25-14-15-26(21-8-5-13-24-23(21)25)22(27)17-28-20-6-3-2-4-7-20/h2-13H,14-17H2,1H3.
What are the key properties of 1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone?
1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone has a molecular weight of 373.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 53071971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).