methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C15H16N4O4 — CID 50963781

IUPACmethyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(C)[nH]c1=O)C2
InChIInChI=1S/C15H16N4O4/c1-9-3-4-11(13(20)16-9)14(21)18-5-6-19-10(8-18)7-12(17-19)15(22)23-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyWRDQFWSUBJLSMZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.32
Rot. Bonds2

About methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50963781) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50963781
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Namemethyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(C)[nH]c1=O)C2
InChIInChI=1S/C15H16N4O4/c1-9-3-4-11(13(20)16-9)14(21)18-5-6-19-10(8-18)7-12(17-19)15(22)23-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyWRDQFWSUBJLSMZ-UHFFFAOYSA-N
XLogP0.32
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
CID 155938934
methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50972710
methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 95123709
methyl 5-(quinoline-8-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50981124
methyl 5-(2-propyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50980331
methyl 1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 115584285
1-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867890
methyl 5-[3-(3-oxo-1,2-oxazol-5-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50975488
methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 95135348
methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
CID 171711026
methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50981175
methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate
CID 119103036

Frequently Asked Questions

What is the IUPAC name of methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50963781) is methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(C)[nH]c1=O)C2.
What is the InChIKey of methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is WRDQFWSUBJLSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-9-3-4-11(13(20)16-9)14(21)18-5-6-19-10(8-18)7-12(17-19)15(22)23-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,20).
What are the key properties of methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 316.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50963781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).