2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C20H28N4O3 — CID 90090689

IUPAC2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCCCCO[C@H]1CC[C@H]1N1CCn2c(ccc(N3C=C(C)NC3)c2=O)C1=O
InChIInChI=1S/C20H28N4O3/c1-3-4-11-27-18-8-7-15(18)23-9-10-24-17(20(23)26)6-5-16(19(24)25)22-12-14(2)21-13-22/h5-6,12,15,18,21H,3-4,7-11,13H2,1-2H3/t15-,18+/m1/s1
InChIKeyZGYBLLIBRAEIKY-QAPCUYQASA-N
MW372.47 g/mol
LogP1.88
Rot. Bonds6

About 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 90090689) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID90090689
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCCCCO[C@H]1CC[C@H]1N1CCn2c(ccc(N3C=C(C)NC3)c2=O)C1=O
InChIInChI=1S/C20H28N4O3/c1-3-4-11-27-18-8-7-15(18)23-9-10-24-17(20(23)26)6-5-16(19(24)25)22-12-14(2)21-13-22/h5-6,12,15,18,21H,3-4,7-11,13H2,1-2H3/t15-,18+/m1/s1
InChIKeyZGYBLLIBRAEIKY-QAPCUYQASA-N
XLogP1.88
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-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 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 90090689) is 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is CCCCO[C@H]1CC[C@H]1N1CCn2c(ccc(N3C=C(C)NC3)c2=O)C1=O.
What is the InChIKey of 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is ZGYBLLIBRAEIKY-QAPCUYQASA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-4-11-27-18-8-7-15(18)23-9-10-24-17(20(23)26)6-5-16(19(24)25)22-12-14(2)21-13-22/h5-6,12,15,18,21H,3-4,7-11,13H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 372.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-butoxycyclobutyl]-7-(5-methyl-1,2-dihydroimidazol-3-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 90090689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).