2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C24H25N3O3 — CID 20907951

IUPAC2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCCN2C(=O)CN1Cc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C24H25N3O3/c28-22-16-25(24(30)21-7-3-4-13-26(21)22)15-17-8-10-19(11-9-17)23(29)27-14-12-18-5-1-2-6-20(18)27/h1-2,5-6,8-11,21H,3-4,7,12-16H2
InChIKeyFZZBMQHSDPSXDX-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.61
Rot. Bonds3

About 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 20907951) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID20907951
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCCN2C(=O)CN1Cc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C24H25N3O3/c28-22-16-25(24(30)21-7-3-4-13-26(21)22)15-17-8-10-19(11-9-17)23(29)27-14-12-18-5-1-2-6-20(18)27/h1-2,5-6,8-11,21H,3-4,7,12-16H2
InChIKeyFZZBMQHSDPSXDX-UHFFFAOYSA-N
XLogP2.61
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

2-[(4-iodophenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79938253
methyl 4-[[(8aR)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]benzoate
CID 92720658
4-[[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-cycloheptylbenzamide
CID 92721591
N-cyclohexyl-4-[(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]benzamide
CID 46272424
N-(4-chlorophenyl)-4-[(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)methyl]benzamide
CID 46275416
4-[[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(2-methylphenyl)benzamide
CID 92721622
4-[[(9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 92722045
4-[[(9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl]methyl]-N-[(3-bromophenyl)methyl]benzamide
CID 92705567
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
2-[(2-chlorophenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3775560
4-[[(8aR)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92721651
4-[[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 92721689

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 20907951) is 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is O=C1C2CCCCN2C(=O)CN1Cc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is FZZBMQHSDPSXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-22-16-25(24(30)21-7-3-4-13-26(21)22)15-17-8-10-19(11-9-17)23(29)27-14-12-18-5-1-2-6-20(18)27/h1-2,5-6,8-11,21H,3-4,7,12-16H2.
What are the key properties of 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 403.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 20907951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).