9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C28H33N3O3 — CID 118631885

IUPAC9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCCCN(Cc1ccc(-c2ccccc2)cc1)Cc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O
InChIInChI=1S/C28H33N3O3/c1-4-14-29(18-21-10-12-23(13-11-21)22-8-6-5-7-9-22)19-24-17-25(32)27(33)26-28(34)30(20(2)3)15-16-31(24)26/h5-13,17,20,33H,4,14-16,18-19H2,1-3H3
InChIKeyHBPJLRGCDGDISH-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.50
Rot. Bonds8

About 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 118631885) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID118631885
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCCCN(Cc1ccc(-c2ccccc2)cc1)Cc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O
InChIInChI=1S/C28H33N3O3/c1-4-14-29(18-21-10-12-23(13-11-21)22-8-6-5-7-9-22)19-24-17-25(32)27(33)26-28(34)30(20(2)3)15-16-31(24)26/h5-13,17,20,33H,4,14-16,18-19H2,1-3H3
InChIKeyHBPJLRGCDGDISH-UHFFFAOYSA-N
XLogP4.50
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide
CID 118631868
N-cyclohexyl-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide
CID 118631851
N,N-dibenzylpropan-1-amine
CID 10840212
N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118621083
2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-propan-2-ylpyridin-4-one
CID 82217424
(2R)-1-[[(2S)-2-hydroxypropyl]-[(4-phenylphenyl)methyl]amino]propan-2-ol
CID 26458234
7-[[(4-methylphenyl)methyl-propylamino]methyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803650
2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217802
N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118621071
4-hydroxy-6-propan-2-yl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
CID 144807855
7-[[(4-chlorophenyl)methyl-propylamino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50802654
4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 118631885) is 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CCCN(Cc1ccc(-c2ccccc2)cc1)Cc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O.
What is the InChIKey of 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is HBPJLRGCDGDISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-4-14-29(18-21-10-12-23(13-11-21)22-8-6-5-7-9-22)19-24-17-25(32)27(33)26-28(34)30(20(2)3)15-16-31(24)26/h5-13,17,20,33H,4,14-16,18-19H2,1-3H3.
What are the key properties of 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 459.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-6-[[(4-phenylphenyl)methyl-propylamino]methyl]-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 118631885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).