[5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone

C20H23N3O4 — CID 131648184

IUPAC[5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
SMILESO=C(c1cccc2c1OCCO2)N1Cc2cncn2C(COCC2CC2)C1
InChIInChI=1S/C20H23N3O4/c24-20(17-2-1-3-18-19(17)27-7-6-26-18)22-9-15-8-21-13-23(15)16(10-22)12-25-11-14-4-5-14/h1-3,8,13-14,16H,4-7,9-12H2
InChIKeyXWJQGHJPYSUDJO-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.28
Rot. Bonds5

About [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone

[5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone (PubChem CID 131648184) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone.

Molecular Properties

Compound Name[5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
PubChem CID131648184
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
SMILESO=C(c1cccc2c1OCCO2)N1Cc2cncn2C(COCC2CC2)C1
InChIInChI=1S/C20H23N3O4/c24-20(17-2-1-3-18-19(17)27-7-6-26-18)22-9-15-8-21-13-23(15)16(10-22)12-25-11-14-4-5-14/h1-3,8,13-14,16H,4-7,9-12H2
InChIKeyXWJQGHJPYSUDJO-UHFFFAOYSA-N
XLogP2.28
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone 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 [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The IUPAC name of [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone (CID 131648184) is [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone.
What is the SMILES notation for [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The canonical SMILES for [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone is O=C(c1cccc2c1OCCO2)N1Cc2cncn2C(COCC2CC2)C1.
What is the InChIKey of [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The InChIKey is XWJQGHJPYSUDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-20(17-2-1-3-18-19(17)27-7-6-26-18)22-9-15-8-21-13-23(15)16(10-22)12-25-11-14-4-5-14/h1-3,8,13-14,16H,4-7,9-12H2.
What are the key properties of [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
[5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone has a molecular weight of 369.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone is sourced from PubChem (CID 131648184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).