4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid

C26H23N5O4 — CID 137071534

IUPAC4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3n[nH]c(C=Cc4ccccc4)c23)CC1
InChIInChI=1S/C26H23N5O4/c32-19-9-7-18(8-10-19)22-16-20(25(33)30-12-14-31(15-13-30)26(34)35)23-21(28-29-24(23)27-22)11-6-17-4-2-1-3-5-17/h1-11,16,32H,12-15H2,(H,34,35)(H,27,28,29)
InChIKeyJXONAMCBIUWADZ-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.94
Rot. Bonds4

About 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid

4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid (PubChem CID 137071534) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid
PubChem CID137071534
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3n[nH]c(C=Cc4ccccc4)c23)CC1
InChIInChI=1S/C26H23N5O4/c32-19-9-7-18(8-10-19)22-16-20(25(33)30-12-14-31(15-13-30)26(34)35)23-21(28-29-24(23)27-22)11-6-17-4-2-1-3-5-17/h1-11,16,32H,12-15H2,(H,34,35)(H,27,28,29)
InChIKeyJXONAMCBIUWADZ-UHFFFAOYSA-N
XLogP3.94
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 137046294
2-[4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 137159615
[3-[2-(4-fluorophenyl)ethenyl]-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
CID 137092113
[6-(4-hydroxyphenyl)-3-[2-(3-methylsulfonylphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
CID 137031822
[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
CID 137161460
(4-cyclopropylpiperazin-1-yl)-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridin-4-yl]methanone
CID 159548178
[6-(4-methylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 20939583
1-[4-[2-(4-hydroxyphenyl)-5-[(E)-2-phenylethenyl]-7H-pyrrolo[3,4-b]pyridine-4-carbonyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 159814676
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(2R,5S)-5-methyl-2-phenylpiperazin-1-yl]methanone
CID 136508011
(3-aminoazetidin-1-yl)-[3-ethyl-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508070
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 136508146
(2-benzylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507830

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid (CID 137071534) is 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)nc3n[nH]c(C=Cc4ccccc4)c23)CC1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid?
The InChIKey is JXONAMCBIUWADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c32-19-9-7-18(8-10-19)22-16-20(25(33)30-12-14-31(15-13-30)26(34)35)23-21(28-29-24(23)27-22)11-6-17-4-2-1-3-5-17/h1-11,16,32H,12-15H2,(H,34,35)(H,27,28,29).
What are the key properties of 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid?
4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid has a molecular weight of 469.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)-3-(2-phenylethenyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 137071534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).