1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C17H17N3O2 — CID 19620000

IUPAC1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCCCn1ncc2c(C(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C17H17N3O2/c1-2-3-9-20-16-14(11-18-20)13(17(21)22)10-15(19-16)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,21,22)
InChIKeyYIJZRNYHFTYZTE-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.60
Rot. Bonds5

About 1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 19620000) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID19620000
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCCCCn1ncc2c(C(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C17H17N3O2/c1-2-3-9-20-16-14(11-18-20)13(17(21)22)10-15(19-16)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,21,22)
InChIKeyYIJZRNYHFTYZTE-UHFFFAOYSA-N
XLogP3.60
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 60985297
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 104708905
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78835833
N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119405435
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 43041655
[4-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39571179
1-ethyl-6-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 78835097
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 19620000) is 1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is CCCCn1ncc2c(C(=O)O)cc(-c3ccccc3)nc21.
What is the InChIKey of 1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is YIJZRNYHFTYZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-3-9-20-16-14(11-18-20)13(17(21)22)10-15(19-16)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,21,22).
What are the key properties of 1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 19620000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).