(4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C25H26N2O5 — CID 67471604

IUPAC(4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCOCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(OC)c(=O)c(O)c2C1=O
InChIInChI=1S/C25H26N2O5/c1-31-14-13-26-15-19(27-16-20(32-2)23(28)24(29)22(27)25(26)30)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19,21,29H,13-15H2,1-2H3/t19-/m1/s1
InChIKeyVFJOBSLEKJNMCH-LJQANCHMSA-N
MW434.49 g/mol
LogP3.04
Rot. Bonds7

About (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

(4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 67471604) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name(4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID67471604
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name(4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESCOCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(OC)c(=O)c(O)c2C1=O
InChIInChI=1S/C25H26N2O5/c1-31-14-13-26-15-19(27-16-20(32-2)23(28)24(29)22(27)25(26)30)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19,21,29H,13-15H2,1-2H3/t19-/m1/s1
InChIKeyVFJOBSLEKJNMCH-LJQANCHMSA-N
XLogP3.04
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 67471604) is (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(OC)c(=O)c(O)c2C1=O.
What is the InChIKey of (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is VFJOBSLEKJNMCH-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-31-14-13-26-15-19(27-16-20(32-2)23(28)24(29)22(27)25(26)30)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19,21,29H,13-15H2,1-2H3/t19-/m1/s1.
What are the key properties of (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
(4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 434.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzhydryl-9-hydroxy-7-methoxy-2-(2-methoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 67471604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).