(3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C28H28N2O2 — CID 129181679

IUPAC(3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1OCc1ccccc1)C[C@@H](c1ccccc1)N(CC1=CC=CCC1)C2
InChIInChI=1S/C28H28N2O2/c31-27-16-25-18-30(17-22-10-4-1-5-11-22)26(24-14-8-3-9-15-24)19-29(25)20-28(27)32-21-23-12-6-2-7-13-23/h1-4,6-10,12-16,20,26H,5,11,17-19,21H2/t26-/m0/s1
InChIKeyVFQRIFGUMNMCLK-SANMLTNESA-N
MW424.54 g/mol
LogP5.26
Rot. Bonds6

About (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

(3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129181679) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name(3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129181679
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name(3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1OCc1ccccc1)C[C@@H](c1ccccc1)N(CC1=CC=CCC1)C2
InChIInChI=1S/C28H28N2O2/c31-27-16-25-18-30(17-22-10-4-1-5-11-22)26(24-14-8-3-9-15-24)19-29(25)20-28(27)32-21-23-12-6-2-7-13-23/h1-4,6-10,12-16,20,26H,5,11,17-19,21H2/t26-/m0/s1
InChIKeyVFQRIFGUMNMCLK-SANMLTNESA-N
XLogP5.26
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin-8-one
CID 129165372
1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
CID 4607667
carbon monoxide;cyclohexa-1,3-dien-1-ylmethylbenzene;iron
CID 134899552
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
[2-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-oxazin-4-yl]-(3,5-dichloro-4-phenylmethoxyphenyl)methanethione
CID 90729424
3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one
CID 67636357
2-cyclohexa-1,3-dien-1-ylethylbenzene;ethane;hydroiodide
CID 142152565
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 42440770
benzyl cyclohexa-1,3-diene-1-carboxylate
CID 53440373
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 56761874
4-benzyl-3-phenylpiperazin-1-amine
CID 3030044
2,5-bis(phenylmethoxy)-1H-pyridin-4-one
CID 54191068

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129181679) is (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1OCc1ccccc1)C[C@@H](c1ccccc1)N(CC1=CC=CCC1)C2.
What is the InChIKey of (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is VFQRIFGUMNMCLK-SANMLTNESA-N. The full InChI is InChI=1S/C28H28N2O2/c31-27-16-25-18-30(17-22-10-4-1-5-11-22)26(24-14-8-3-9-15-24)19-29(25)20-28(27)32-21-23-12-6-2-7-13-23/h1-4,6-10,12-16,20,26H,5,11,17-19,21H2/t26-/m0/s1.
What are the key properties of (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
(3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 424.54 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(cyclohexa-1,3-dien-1-ylmethyl)-3-phenyl-7-phenylmethoxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129181679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).