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

C17H17N3O2 — CID 16778863

IUPAC3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCC(C)(C)c1nn(-c2ccccc2)c2ncc(C(=O)O)cc12
InChIInChI=1S/C17H17N3O2/c1-17(2,3)14-13-9-11(16(21)22)10-18-15(13)20(19-14)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,21,22)
InChIKeyXBFLISGWUFTVHD-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.42
Rot. Bonds2

About 3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid

3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 16778863) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID16778863
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCC(C)(C)c1nn(-c2ccccc2)c2ncc(C(=O)O)cc12
InChIInChI=1S/C17H17N3O2/c1-17(2,3)14-13-9-11(16(21)22)10-18-15(13)20(19-14)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,21,22)
InChIKeyXBFLISGWUFTVHD-UHFFFAOYSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778556
3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16779564
2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095796
4-tert-butyl-2-phenylphthalazin-1-one
CID 134094588
(2-hydroxy-5-methylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 901814
ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 134853494
1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid
CID 12643401
3-tert-butyl-1-pyridin-4-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 43543129
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
(2-hydroxyphenyl)-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 4798152
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 10115278

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid (CID 16778863) is 3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid is CC(C)(C)c1nn(-c2ccccc2)c2ncc(C(=O)O)cc12.
What is the InChIKey of 3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is XBFLISGWUFTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-17(2,3)14-13-9-11(16(21)22)10-18-15(13)20(19-14)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,21,22).
What are the key properties of 3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 16778863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).