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

C25H27N3O — CID 95070077

IUPAC(2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
SMILESCC[C@H](C(=O)N1CCN(Cc2ccc(C)cc2)c2ncccc21)c1ccccc1
InChIInChI=1S/C25H27N3O/c1-3-22(21-8-5-4-6-9-21)25(29)28-17-16-27(24-23(28)10-7-15-26-24)18-20-13-11-19(2)12-14-20/h4-15,22H,3,16-18H2,1-2H3/t22-/m0/s1
InChIKeyMRPDZPPOGCFMHY-QFIPXVFZSA-N
MW385.51 g/mol
LogP4.94
Rot. Bonds5

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

(2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one (PubChem CID 95070077) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is (2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
PubChem CID95070077
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name(2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
SMILESCC[C@H](C(=O)N1CCN(Cc2ccc(C)cc2)c2ncccc21)c1ccccc1
InChIInChI=1S/C25H27N3O/c1-3-22(21-8-5-4-6-9-21)25(29)28-17-16-27(24-23(28)10-7-15-26-24)18-20-13-11-19(2)12-14-20/h4-15,22H,3,16-18H2,1-2H3/t22-/m0/s1
InChIKeyMRPDZPPOGCFMHY-QFIPXVFZSA-N
XLogP4.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 53071951
(2R)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 95070078
1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone
CID 53071971
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
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate
CID 53071660
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
ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
CID 53071615
4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071619
3-[(4-methylphenyl)methyl]-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276815

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of (2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one (CID 95070077) is (2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for (2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for (2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one is CC[C@H](C(=O)N1CCN(Cc2ccc(C)cc2)c2ncccc21)c1ccccc1.
What is the InChIKey of (2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one?
The InChIKey is MRPDZPPOGCFMHY-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27N3O/c1-3-22(21-8-5-4-6-9-21)25(29)28-17-16-27(24-23(28)10-7-15-26-24)18-20-13-11-19(2)12-14-20/h4-15,22H,3,16-18H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one?
(2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one has a molecular weight of 385.51 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 95070077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).