4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C15H21N3O3 — CID 115937445

IUPAC4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCCCCCOc1c(C(=O)O)cnc2c1c(C)nn2C
InChIInChI=1S/C15H21N3O3/c1-4-5-6-7-8-21-13-11(15(19)20)9-16-14-12(13)10(2)17-18(14)3/h9H,4-8H2,1-3H3,(H,19,20)
InChIKeyHQVCWNNWODTRKC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.93
Rot. Bonds7

About 4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 115937445) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID115937445
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCCCCCCOc1c(C(=O)O)cnc2c1c(C)nn2C
InChIInChI=1S/C15H21N3O3/c1-4-5-6-7-8-21-13-11(15(19)20)9-16-14-12(13)10(2)17-18(14)3/h9H,4-8H2,1-3H3,(H,19,20)
InChIKeyHQVCWNNWODTRKC-UHFFFAOYSA-N
XLogP2.93
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-4-(2-propoxyethoxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937464
1,3-dimethyl-4-prop-2-ynoxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 112580943
1,3-dimethyl-4-(2-methylpentoxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 103283210
1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937444
1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 106596785
1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 116792570
4-[cyclopropylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937637
4-(5-hydroxypentylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107317940
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
4-[2-(2-hydroxyethoxy)ethylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937618
4-pentoxyquinoline-3-carboxylic acid
CID 61339358
10-[3-(dimethylamino)propoxy]-4,8-dimethyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-11-carboxylic acid
CID 21389171

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 115937445) is 4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is CCCCCCOc1c(C(=O)O)cnc2c1c(C)nn2C.
What is the InChIKey of 4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is HQVCWNNWODTRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-5-6-7-8-21-13-11(15(19)20)9-16-14-12(13)10(2)17-18(14)3/h9H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 115937445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).