6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid

C14H13N3O3 — CID 43329016

IUPAC6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1ccc(Cn2ncc3cc(C(=O)O)c(C)nc32)o1
InChIInChI=1S/C14H13N3O3/c1-8-3-4-11(20-8)7-17-13-10(6-15-17)5-12(14(18)19)9(2)16-13/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyGJIVCLGOKPMAOU-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.39
Rot. Bonds3

About 6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid

6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 43329016) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID43329016
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1ccc(Cn2ncc3cc(C(=O)O)c(C)nc32)o1
InChIInChI=1S/C14H13N3O3/c1-8-3-4-11(20-8)7-17-13-10(6-15-17)5-12(14(18)19)9(2)16-13/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyGJIVCLGOKPMAOU-UHFFFAOYSA-N
XLogP2.39
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 43329016) is 6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1ccc(Cn2ncc3cc(C(=O)O)c(C)nc32)o1.
What is the InChIKey of 6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is GJIVCLGOKPMAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-3-4-11(20-8)7-17-13-10(6-15-17)5-12(14(18)19)9(2)16-13/h3-6H,7H2,1-2H3,(H,18,19).
What are the key properties of 6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 43329016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).