N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C14H14N4O3 — CID 166190193

IUPACN-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccoc2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C14H14N4O3/c1-8-5-10(11-12(16-8)18(2)17-14(11)20)13(19)15-6-9-3-4-21-7-9/h3-5,7H,6H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyIUXPHSSPTQNOGA-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.09
Rot. Bonds3

About N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 166190193) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID166190193
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccoc2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C14H14N4O3/c1-8-5-10(11-12(16-8)18(2)17-14(11)20)13(19)15-6-9-3-4-21-7-9/h3-5,7H,6H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyIUXPHSSPTQNOGA-UHFFFAOYSA-N
XLogP1.09
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 166249258
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39946409
N-(3-hydroxy-3-phenylpropyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 111471664
N-(furan-3-ylmethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55962585
N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 111471069
1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39929190
N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621872
1,6-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51097783
N-[[4-(dimethylamino)phenyl]methyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085393
N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 113342680
N-(furan-3-ylmethyl)-2-methylbenzamide
CID 47285303
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 39497108

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 166190193) is N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccoc2)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is IUXPHSSPTQNOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-8-5-10(11-12(16-8)18(2)17-14(11)20)13(19)15-6-9-3-4-21-7-9/h3-5,7H,6H2,1-2H3,(H,15,19)(H,17,20).
What are the key properties of N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166190193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).