methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C18H18N4O5 — CID 121241089

IUPACmethyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C2CCN(C(=O)c3ccco3)CC2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C18H18N4O5/c1-26-18(25)13-10-22(9-12-15(13)19-20-16(12)23)11-4-6-21(7-5-11)17(24)14-3-2-8-27-14/h2-3,8-11H,4-7H2,1H3,(H,20,23)
InChIKeyRZUIHFPGLCVZDN-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.53
Rot. Bonds3

About methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121241089) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121241089
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Namemethyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C2CCN(C(=O)c3ccco3)CC2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C18H18N4O5/c1-26-18(25)13-10-22(9-12-15(13)19-20-16(12)23)11-4-6-21(7-5-11)17(24)14-3-2-8-27-14/h2-3,8-11H,4-7H2,1H3,(H,20,23)
InChIKeyRZUIHFPGLCVZDN-UHFFFAOYSA-N
XLogP1.53
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Related Compounds

[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 7026554
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
CID 16671079
methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 18103775
1-(furan-2-carbonyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 78814076
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate
CID 109030209
furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 133489078
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
N-[[1-(furan-2-carbonyl)azepan-4-yl]methyl]-6-methyl-4-oxo-1H-pyridazine-3-carboxamide
CID 167811798

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121241089) is methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C2CCN(C(=O)c3ccco3)CC2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is RZUIHFPGLCVZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-26-18(25)13-10-22(9-12-15(13)19-20-16(12)23)11-4-6-21(7-5-11)17(24)14-3-2-8-27-14/h2-3,8-11H,4-7H2,1H3,(H,20,23).
What are the key properties of methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 370.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121241089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).