8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one

C17H23N7O2 — CID 123959520

IUPAC8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one
SMILESC=CCN1C(=O)N2CC(CC)NC2=C2NC(c3cc(OC)nn3C)N=C21
InChIInChI=1S/C17H23N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,14,18-19H,1,6-7,9H2,2-4H3
InChIKeyVYYIOCGRYZFTHT-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.90
Rot. Bonds5

About 8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one

8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one (PubChem CID 123959520) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one
PubChem CID123959520
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one
SMILESC=CCN1C(=O)N2CC(CC)NC2=C2NC(c3cc(OC)nn3C)N=C21
InChIInChI=1S/C17H23N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,14,18-19H,1,6-7,9H2,2-4H3
InChIKeyVYYIOCGRYZFTHT-UHFFFAOYSA-N
XLogP0.90
TPSA87.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one (CID 123959520) is 8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one is C=CCN1C(=O)N2CC(CC)NC2=C2NC(c3cc(OC)nn3C)N=C21.
What is the InChIKey of 8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one?
The InChIKey is VYYIOCGRYZFTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-5-7-23-16-13(15-18-10(6-2)9-24(15)17(23)25)19-14(20-16)11-8-12(26-4)21-22(11)3/h5,8,10,14,18-19H,1,6-7,9H2,2-4H3.
What are the key properties of 8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one?
8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one has a molecular weight of 357.42 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(3-methoxy-1-methylpyrazol-5-yl)-4-prop-2-enyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 123959520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).