(3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione

C30H26N2O4 — CID 58067139

IUPAC(3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C30H26N2O4/c1-20(33)24-17-32-18-25(26(22-13-7-3-8-14-22)23-15-9-4-10-16-23)31-30(35)27(32)29(28(24)34)36-19-21-11-5-2-6-12-21/h2-17,25-26H,18-19H2,1H3,(H,31,35)/t25-/m0/s1
InChIKeyDZSIJCHAPFLUQO-VWLOTQADSA-N
MW478.55 g/mol
LogP4.57
Rot. Bonds7

About (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione

(3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 58067139) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name(3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione
PubChem CID58067139
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC Name(3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione
SMILESCC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C30H26N2O4/c1-20(33)24-17-32-18-25(26(22-13-7-3-8-14-22)23-15-9-4-10-16-23)31-30(35)27(32)29(28(24)34)36-19-21-11-5-2-6-12-21/h2-17,25-26H,18-19H2,1H3,(H,31,35)/t25-/m0/s1
InChIKeyDZSIJCHAPFLUQO-VWLOTQADSA-N
XLogP4.57
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione with MolForge

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Launch Full Analysis

Related Compounds

methyl (3R)-3-benzhydryl-9-butoxy-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
CID 67471618
(2S,3R)-13-acetyl-2-benzhydryl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;bis((2S,3S)-13-acetyl-2-benzhydryl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione);(2S,3S)-2-benzhydryl-9,12-dioxo-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid;(2S,3S)-2-benzhydryl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 160989222
(3R)-13-acetyl-11-phenylmethoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 159448322
N-[(4-fluorophenyl)methyl]-7-methyl-4-(2-methylpropyl)-9,12-dioxo-11-phenylmethoxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 77150734
(4S)-4-benzhydryl-N-methoxy-2-(2-methoxyethyl)-N-methyl-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 88612455
(4S)-7-acetyl-4-benzyl-2-(2-hydroxyethyl)-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;4-benzyl-2-(2-hydroxyethyl)-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;4-benzyl-9-hydroxy-2-(2-hydroxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 158692685
(4aS,11aS)-5-methyl-6,8-dioxo-7-phenylmethoxy-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxylic acid
CID 121422043
(3R)-3-benzhydryl-9-butoxy-2-methyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 67471619
1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
CID 156560394
2-acetyl-3-phenylmethoxy-1H-pyridin-4-one
CID 145314511
(1S,11R,12R)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3,6-dioxo-5-phenylmethoxy-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide
CID 90328051
ethyl 3,6-dioxo-5-phenylmethoxy-2,9-diazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,7-diene-7-carboxylate
CID 135277903

Frequently Asked Questions

What is the IUPAC name of (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione (CID 58067139) is (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione is CC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is DZSIJCHAPFLUQO-VWLOTQADSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-20(33)24-17-32-18-25(26(22-13-7-3-8-14-22)23-15-9-4-10-16-23)31-30(35)27(32)29(28(24)34)36-19-21-11-5-2-6-12-21/h2-17,25-26H,18-19H2,1H3,(H,31,35)/t25-/m0/s1.
What are the key properties of (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione?
(3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 478.55 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 58067139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).