(1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C43H50N4O4 — CID 158433610

IUPAC(1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCCc1ccc(CN2CCn3cc(O)c(=O)cc3C2C(C)C)cc1.CCc1ccc(CN2CCn3cc(O)c(=O)cc3[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H24N2O2.C20H26N2O2/c1-2-17-8-10-18(11-9-17)15-25-13-12-24-16-22(27)21(26)14-20(24)23(25)19-6-4-3-5-7-19;1-4-15-5-7-16(8-6-15)12-22-10-9-21-13-19(24)18(23)11-17(21)20(22)14(2)3/h3-11,14,16,23,27H,2,12-13,15H2,1H3;5-8,11,13-14,20,24H,4,9-10,12H2,1-3H3/t23-;/m0./s1
InChIKeyHBYNCWJCXYUQDP-BQAIUKQQSA-N
MW686.90 g/mol
LogP7.05
Rot. Bonds8

About (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

(1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 158433610) has the molecular formula C43H50N4O4 and a molecular weight of 686.90 g/mol. Its IUPAC name is (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name(1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID158433610
Molecular FormulaC43H50N4O4
Molecular Weight686.90 g/mol
Exact Mass686.38
IUPAC Name(1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCCc1ccc(CN2CCn3cc(O)c(=O)cc3C2C(C)C)cc1.CCc1ccc(CN2CCn3cc(O)c(=O)cc3[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H24N2O2.C20H26N2O2/c1-2-17-8-10-18(11-9-17)15-25-13-12-24-16-22(27)21(26)14-20(24)23(25)19-6-4-3-5-7-19;1-4-15-5-7-16(8-6-15)12-22-10-9-21-13-19(24)18(23)11-17(21)20(22)14(2)3/h3-11,14,16,23,27H,2,12-13,15H2,1H3;5-8,11,13-14,20,24H,4,9-10,12H2,1-3H3/t23-;/m0./s1
InChIKeyHBYNCWJCXYUQDP-BQAIUKQQSA-N
XLogP7.05
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.90
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one with MolForge

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Related Compounds

2-[(4-ethylphenyl)methyl]-7-hydroxy-1-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165362
(3aR,4R,6aS)-5-benzyl-2-methyl-4-propan-2-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129499498
7-hydroxy-2-[(1S)-1-phenylbutyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129181800
1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69396250
(1S)-1-(4-ethylphenyl)-2-[(3-methylphenyl)methyl]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 93232104
2-benzyl-1-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 46032623
(3S)-4-benzyl-3-phenylmorpholin-2-one
CID 15871960
(3R)-4-benzyl-3-phenylmorpholin-2-one
CID 12968270
1-[(4-ethylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880063
1-(4-ethylphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108638384
4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one
CID 70769632
(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 51981990

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 158433610) is (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is CCc1ccc(CN2CCn3cc(O)c(=O)cc3C2C(C)C)cc1.CCc1ccc(CN2CCn3cc(O)c(=O)cc3[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is HBYNCWJCXYUQDP-BQAIUKQQSA-N. The full InChI is InChI=1S/C23H24N2O2.C20H26N2O2/c1-2-17-8-10-18(11-9-17)15-25-13-12-24-16-22(27)21(26)14-20(24)23(25)19-6-4-3-5-7-19;1-4-15-5-7-16(8-6-15)12-22-10-9-21-13-19(24)18(23)11-17(21)20(22)14(2)3/h3-11,14,16,23,27H,2,12-13,15H2,1H3;5-8,11,13-14,20,24H,4,9-10,12H2,1-3H3/t23-;/m0./s1.
What are the key properties of (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
(1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 686.90 g/mol, XLogP of 7.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(4-ethylphenyl)methyl]-7-hydroxy-1-phenyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;2-[(4-ethylphenyl)methyl]-7-hydroxy-1-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 158433610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).