1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C15H16N4O3 — CID 166249258

IUPAC1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C)o2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C15H16N4O3/c1-8-6-11(12-13(17-8)19(3)18-15(12)21)14(20)16-7-10-5-4-9(2)22-10/h4-6H,7H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyAYAPSJJAGCLDHO-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.40
Rot. Bonds3

About 1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 166249258) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID166249258
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C)o2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C15H16N4O3/c1-8-6-11(12-13(17-8)19(3)18-15(12)21)14(20)16-7-10-5-4-9(2)22-10/h4-6H,7H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyAYAPSJJAGCLDHO-UHFFFAOYSA-N
XLogP1.40
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 166249258) is 1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(C)o2)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is AYAPSJJAGCLDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-8-6-11(12-13(17-8)19(3)18-15(12)21)14(20)16-7-10-5-4-9(2)22-10/h4-6H,7H2,1-3H3,(H,16,20)(H,18,21).
What are the key properties of 1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166249258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).