5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

C17H18N4O4 — CID 131646748

IUPAC5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cccc3c2OCCO3)Cc2ccnn21
InChIInChI=1S/C17H18N4O4/c1-18-16(22)13-10-20(9-11-5-6-19-21(11)13)17(23)12-3-2-4-14-15(12)25-8-7-24-14/h2-6,13H,7-10H2,1H3,(H,18,22)
InChIKeyAVMYLUZJXHWLIY-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.60
Rot. Bonds2

About 5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131646748) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID131646748
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cccc3c2OCCO3)Cc2ccnn21
InChIInChI=1S/C17H18N4O4/c1-18-16(22)13-10-20(9-11-5-6-19-21(11)13)17(23)12-3-2-4-14-15(12)25-8-7-24-14/h2-6,13H,7-10H2,1H3,(H,18,22)
InChIKeyAVMYLUZJXHWLIY-UHFFFAOYSA-N
XLogP0.60
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133142151
[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 133142311
5-(3-ethoxythiophene-2-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131638609
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124948136
N-[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide
CID 110133091
(3-chloropiperidin-1-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 55188169
[5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 131648184
2,3-dihydro-1,4-benzodioxin-5-yl-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 99606745
methyl (3aS,6aS)-5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 164690604
2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 129356194
[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 97369190
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537836

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 131646748) is 5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is CNC(=O)C1CN(C(=O)c2cccc3c2OCCO3)Cc2ccnn21.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is AVMYLUZJXHWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-18-16(22)13-10-20(9-11-5-6-19-21(11)13)17(23)12-3-2-4-14-15(12)25-8-7-24-14/h2-6,13H,7-10H2,1H3,(H,18,22).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131646748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).