8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one

C20H25N5O2 — CID 143541615

IUPAC8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
SMILESCc1c(NCCCn2ccnc2)c2c3c(c1N)c(=O)ccn3C(C)(C)CO2
InChIInChI=1S/C20H25N5O2/c1-13-16(21)15-14(26)5-9-25-18(15)19(27-11-20(25,2)3)17(13)23-6-4-8-24-10-7-22-12-24/h5,7,9-10,12,23H,4,6,8,11,21H2,1-3H3
InChIKeyLGVAABIXLYVPDE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.72
Rot. Bonds5

About 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one

8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one (PubChem CID 143541615) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one.

Molecular Properties

Compound Name8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
PubChem CID143541615
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
SMILESCc1c(NCCCn2ccnc2)c2c3c(c1N)c(=O)ccn3C(C)(C)CO2
InChIInChI=1S/C20H25N5O2/c1-13-16(21)15-14(26)5-9-25-18(15)19(27-11-20(25,2)3)17(13)23-6-4-8-24-10-7-22-12-24/h5,7,9-10,12,23H,4,6,8,11,21H2,1-3H3
InChIKeyLGVAABIXLYVPDE-UHFFFAOYSA-N
XLogP2.72
TPSA87.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-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

3-acetyl-6-amino-7-fluoro-8-(3-imidazol-1-ylpropylamino)-12,12-dimethyl-10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraen-4-one;(2S)-11-acetyl-8-amino-7-fluoro-2-methyl-6-(2-pyridin-4-ylethylamino)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one;bis((2R)-11-acetyl-8-amino-7-fluoro-2-methyl-6-(3-pyridin-2-ylpropylamino)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one);(2S)-11-acetyl-8-amino-7-fluoro-2-propan-2-yl-6-(3-pyridin-2-ylpropylamino)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one;8-amino-7-fluoro-6-(3-imidazol-1-ylpropylamino)-2,2-dimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one;6-amino-7-fluoro-3,12,12-trimethyl-8-(3-pyridin-2-ylpropylamino)-10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraen-4-one;tris(2,2,2-trifluoroacetaldehyde);trihydrochloride
CID 159188586
(2S)-8-amino-7-fluoro-6-(3-imidazol-1-ylpropylamino)-2-methyl-11-(2H-tetrazol-5-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one
CID 25264966
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
CID 61313104
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
methyl 5-amino-2-(3-imidazol-1-ylpropylamino)benzoate
CID 61306233
4-amino-3-(3-imidazol-1-ylpropylamino)benzoic acid
CID 82784816

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The IUPAC name of 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one (CID 143541615) is 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one.
What is the SMILES notation for 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The canonical SMILES for 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one is Cc1c(NCCCn2ccnc2)c2c3c(c1N)c(=O)ccn3C(C)(C)CO2.
What is the InChIKey of 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The InChIKey is LGVAABIXLYVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-16(21)15-14(26)5-9-25-18(15)19(27-11-20(25,2)3)17(13)23-6-4-8-24-10-7-22-12-24/h5,7,9-10,12,23H,4,6,8,11,21H2,1-3H3.
What are the key properties of 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one has a molecular weight of 367.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(3-imidazol-1-ylpropylamino)-2,2,7-trimethyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one is sourced from PubChem (CID 143541615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).