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

C20H25ClN4O5 — CID 171711026

IUPACmethyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)c1c(C)cc(C3CCCNC3)oc1=O)C2.Cl
InChIInChI=1S/C20H24N4O5.ClH/c1-12-8-16(13-4-3-5-21-10-13)29-20(27)17(12)18(25)23-6-7-24-14(11-23)9-15(22-24)19(26)28-2;/h8-9,13,21H,3-7,10-11H2,1-2H3;1H
InChIKeyZDVOSCFBVCJZAD-UHFFFAOYSA-N
MW436.90 g/mol
LogP1.48
Rot. Bonds3

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

methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride (PubChem CID 171711026) has the molecular formula C20H25ClN4O5 and a molecular weight of 436.90 g/mol. Its IUPAC name is methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
PubChem CID171711026
Molecular FormulaC20H25ClN4O5
Molecular Weight436.90 g/mol
Exact Mass436.15
IUPAC Namemethyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)c1c(C)cc(C3CCCNC3)oc1=O)C2.Cl
InChIInChI=1S/C20H24N4O5.ClH/c1-12-8-16(13-4-3-5-21-10-13)29-20(27)17(12)18(25)23-6-7-24-14(11-23)9-15(22-24)19(26)28-2;/h8-9,13,21H,3-7,10-11H2,1-2H3;1H
InChIKeyZDVOSCFBVCJZAD-UHFFFAOYSA-N
XLogP1.48
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride
CID 171707509
methyl (1S,5R)-3-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 170511437
4-methyl-6-piperidin-3-yl-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)pyran-2-one;dihydrochloride
CID 171712671
4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one
CID 170510204
3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4-methyl-6-piperidin-3-ylpyran-2-one
CID 170505244
4-methyl-6-piperidin-3-yl-3-[4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbonyl]pyran-2-one
CID 170504274
4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one
CID 170503401
methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate
CID 170507450
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 170507431
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170506338
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387824

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The IUPAC name of 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) is methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride is COC(=O)c1cc2n(n1)CCN(C(=O)c1c(C)cc(C3CCCNC3)oc1=O)C2.Cl.
What is the InChIKey of methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The InChIKey is ZDVOSCFBVCJZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5.ClH/c1-12-8-16(13-4-3-5-21-10-13)29-20(27)17(12)18(25)23-6-7-24-14(11-23)9-15(22-24)19(26)28-2;/h8-9,13,21H,3-7,10-11H2,1-2H3;1H.
What are the key properties of methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride has a molecular weight of 436.90 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 171711026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).