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

C17H22N4O3 — CID 134073189

IUPAC[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCn2cnc(COCC3CC3)c2C1
InChIInChI=1S/C17H22N4O3/c1-11-16(12(2)24-19-11)17(22)20-5-6-21-10-18-14(15(21)7-20)9-23-8-13-3-4-13/h10,13H,3-9H2,1-2H3
InChIKeyXRVRGOOTPBPZGJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.07
Rot. Bonds5

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

[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 134073189) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID134073189
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCn2cnc(COCC3CC3)c2C1
InChIInChI=1S/C17H22N4O3/c1-11-16(12(2)24-19-11)17(22)20-5-6-21-10-18-14(15(21)7-20)9-23-8-13-3-4-13/h10,13H,3-9H2,1-2H3
InChIKeyXRVRGOOTPBPZGJ-UHFFFAOYSA-N
XLogP2.07
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 134073189) is [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCn2cnc(COCC3CC3)c2C1.
What is the InChIKey of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is XRVRGOOTPBPZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-16(12(2)24-19-11)17(22)20-5-6-21-10-18-14(15(21)7-20)9-23-8-13-3-4-13/h10,13H,3-9H2,1-2H3.
What are the key properties of [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 134073189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).