1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one

C17H25N7O2 — CID 42384159

IUPAC1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nc2nonc2nc1N1CCCCCC1
InChIInChI=1S/C17H25N7O2/c25-13-7-5-11-23(13)12-6-8-18-16-17(24-9-3-1-2-4-10-24)20-15-14(19-16)21-26-22-15/h1-12H2,(H,18,19,21)
InChIKeyAARXSCRDDKTCMN-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.82
Rot. Bonds6

About 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 42384159) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one
PubChem CID42384159
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1nc2nonc2nc1N1CCCCCC1
InChIInChI=1S/C17H25N7O2/c25-13-7-5-11-23(13)12-6-8-18-16-17(24-9-3-1-2-4-10-24)20-15-14(19-16)21-26-22-15/h1-12H2,(H,18,19,21)
InChIKeyAARXSCRDDKTCMN-UHFFFAOYSA-N
XLogP1.82
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol
CID 56695674
1-[3-[[3-[3-(2-oxoazepan-1-yl)propylamino]pyrazin-2-yl]amino]propyl]azepan-2-one
CID 166204581
1-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]propyl]piperidin-2-one
CID 155269816
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-[3-(propan-2-ylamino)propyl]azepan-2-one
CID 60695423
1-[3-[[2-chloro-5-(dimethylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 21081039
1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one
CID 110244926
ethyl 3-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349810
1-[3-(4-chloro-2,3,5,6-tetrafluoroanilino)propyl]azepan-2-one
CID 10861134
1-[3-[[2-(pyrimidin-2-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117080695
1-[2-(tert-butylamino)ethyl]azepan-2-one
CID 61387620
1-[3-[(8-anilino-7H-purin-6-yl)amino]propyl]pyrrolidin-2-one
CID 117091724

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one (CID 42384159) is 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1nc2nonc2nc1N1CCCCCC1.
What is the InChIKey of 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is AARXSCRDDKTCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c25-13-7-5-11-23(13)12-6-8-18-16-17(24-9-3-1-2-4-10-24)20-15-14(19-16)21-26-22-15/h1-12H2,(H,18,19,21).
What are the key properties of 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 359.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 42384159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).