[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone

C15H22N4O2 — CID 39782177

IUPAC[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCc1nccnc1N1CCCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C15H22N4O2/c1-12-14(17-6-5-16-12)18-7-3-8-19(10-9-18)15(20)13-4-2-11-21-13/h5-6,13H,2-4,7-11H2,1H3/t13-/m0/s1
InChIKeyGWBLRAZUDSAJAW-ZDUSSCGKSA-N
MW290.37 g/mol
LogP1.00
Rot. Bonds2

About [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 39782177) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID39782177
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCc1nccnc1N1CCCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C15H22N4O2/c1-12-14(17-6-5-16-12)18-7-3-8-19(10-9-18)15(20)13-4-2-11-21-13/h5-6,13H,2-4,7-11H2,1H3/t13-/m0/s1
InChIKeyGWBLRAZUDSAJAW-ZDUSSCGKSA-N
XLogP1.00
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone with MolForge

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Related Compounds

[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 154887777
methyl 2-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate
CID 94616340
methyl 2-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]pyridine-4-carboxylate
CID 94616339
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 113076272
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 83970308
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 39782177) is [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone is Cc1nccnc1N1CCCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is GWBLRAZUDSAJAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-14(17-6-5-16-12)18-7-3-8-19(10-9-18)15(20)13-4-2-11-21-13/h5-6,13H,2-4,7-11H2,1H3/t13-/m0/s1.
What are the key properties of [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 290.37 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 39782177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).